NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22185 | 2jml | 15023 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY -2 1H GLY -2 8.272 13.436 5.080 2 2H GLY -2 2H GLY -2 8.754 14.947 4.640 3 3H GLY -2 3H GLY -2 8.966 13.625 3.634 4 1HA GLY -2 1HA GLY -2 6.319 14.620 4.680 5 2HA GLY -2 2HA GLY -2 6.992 15.410 3.298 6 H SER -1 H SER -1 5.135 12.739 4.364 7 HA SER -1 HA SER -1 4.315 11.680 1.966 8 1HB SER -1 1HB SER -1 6.819 11.318 1.537 9 2HB SER -1 2HB SER -1 6.756 10.135 2.847 10 HG SER -1 HG SER -1 4.830 9.217 1.718 11 H HIS 0 H HIS 0 3.537 9.224 2.481 12 HA HIS 0 HA HIS 0 2.770 9.273 5.343 13 1HB HIS 0 1HB HIS 0 1.033 9.194 3.569 14 2HB HIS 0 2HB HIS 0 1.621 7.604 3.080 15 HD1 HIS 0 HD1 HIS 0 -0.080 9.338 6.104 16 HD2 HIS 0 HD2 HIS 0 0.995 5.543 4.614 17 HE1 HIS 0 HE1 HIS 0 -1.014 7.604 7.782 18 HE2 HIS 0 HE2 HIS 0 -0.318 5.282 6.854 19 H MET 1 H MET 1 2.765 7.427 6.677 20 HA MET 1 HA MET 1 5.112 5.847 6.808 21 1HB MET 1 1HB MET 1 2.386 5.671 8.148 22 2HB MET 1 2HB MET 1 3.636 4.475 8.456 23 1HG MET 1 1HG MET 1 4.714 7.194 8.680 24 2HG MET 1 2HG MET 1 3.327 6.940 9.737 25 1HE MET 1 1HE MET 1 7.217 4.412 9.941 26 2HE MET 1 2HE MET 1 6.115 4.358 8.551 27 3HE MET 1 3HE MET 1 7.038 5.843 8.901 28 H THR 2 H THR 2 5.743 4.153 5.633 29 HA THR 2 HA THR 2 3.792 2.373 4.326 30 HB THR 2 HB THR 2 5.855 1.347 3.336 31 HG1 THR 2 HG1 THR 2 7.165 2.131 5.119 32 1HG2 THR 2 1HG2 THR 2 4.666 3.070 2.068 33 2HG2 THR 2 2HG2 THR 2 5.573 4.353 2.903 34 3HG2 THR 2 3HG2 THR 2 6.418 3.220 1.829 35 H LEU 3 H LEU 3 3.458 0.317 4.976 36 HA LEU 3 HA LEU 3 5.068 -0.854 7.200 37 1HB LEU 3 1HB LEU 3 2.067 -0.488 7.010 38 2HB LEU 3 2HB LEU 3 2.671 -1.935 7.754 39 HG LEU 3 HG LEU 3 2.198 -0.438 9.478 40 1HD1 LEU 3 1HD1 LEU 3 4.191 -0.398 10.740 41 2HD1 LEU 3 2HD1 LEU 3 4.332 -1.798 9.662 42 3HD1 LEU 3 3HD1 LEU 3 5.215 -0.298 9.305 43 1HD2 LEU 3 1HD2 LEU 3 2.282 1.689 8.225 44 2HD2 LEU 3 2HD2 LEU 3 3.081 1.752 9.809 45 3HD2 LEU 3 3HD2 LEU 3 4.056 1.652 8.339 46 H ARG 4 H ARG 4 4.143 -3.352 7.371 47 HA ARG 4 HA ARG 4 4.855 -4.438 4.682 48 1HB ARG 4 1HB ARG 4 5.284 -5.637 7.438 49 2HB ARG 4 2HB ARG 4 5.814 -6.376 5.927 50 1HG ARG 4 1HG ARG 4 7.585 -4.895 5.614 51 2HG ARG 4 2HG ARG 4 6.825 -3.604 6.529 52 1HD ARG 4 1HD ARG 4 7.130 -5.484 8.516 53 2HD ARG 4 2HD ARG 4 8.530 -5.838 7.492 54 HE ARG 4 HE ARG 4 8.212 -3.001 7.969 55 1HH1 ARG 4 1HH1 ARG 4 9.479 -5.862 9.522 56 2HH1 ARG 4 2HH1 ARG 4 10.428 -4.956 10.670 57 1HH2 ARG 4 1HH2 ARG 4 9.411 -1.864 9.464 58 2HH2 ARG 4 2HH2 ARG 4 10.382 -2.716 10.621 59 H ILE 5 H ILE 5 4.069 -6.656 4.209 60 HA ILE 5 HA ILE 5 1.276 -6.870 4.374 61 HB ILE 5 HB ILE 5 2.983 -8.196 2.867 62 1HG1 ILE 5 1HG1 ILE 5 1.197 -9.970 2.492 63 2HG1 ILE 5 2HG1 ILE 5 0.331 -9.278 3.858 64 1HG2 ILE 5 1HG2 ILE 5 2.507 -10.314 5.000 65 2HG2 ILE 5 2HG2 ILE 5 3.325 -10.512 3.450 66 3HG2 ILE 5 3HG2 ILE 5 4.059 -9.493 4.692 67 1HD1 ILE 5 1HD1 ILE 5 1.011 -7.114 2.063 68 2HD1 ILE 5 2HD1 ILE 5 0.314 -8.435 1.112 69 3HD1 ILE 5 3HD1 ILE 5 -0.577 -7.742 2.483 70 H ARG 6 H ARG 6 3.635 -7.961 6.685 71 HA ARG 6 HA ARG 6 2.093 -9.575 8.407 72 1HB ARG 6 1HB ARG 6 4.674 -8.468 8.347 73 2HB ARG 6 2HB ARG 6 3.981 -7.677 9.734 74 1HG ARG 6 1HG ARG 6 3.491 -10.630 9.680 75 2HG ARG 6 2HG ARG 6 5.180 -10.207 9.558 76 1HD ARG 6 1HD ARG 6 5.256 -10.080 11.759 77 2HD ARG 6 2HD ARG 6 4.355 -8.566 11.655 78 HE ARG 6 HE ARG 6 2.603 -10.871 11.622 79 1HH1 ARG 6 1HH1 ARG 6 4.458 -8.909 13.847 80 2HH1 ARG 6 2HH1 ARG 6 3.531 -9.394 15.240 81 1HH2 ARG 6 1HH2 ARG 6 1.454 -11.509 13.435 82 2HH2 ARG 6 2HH2 ARG 6 1.852 -10.852 14.991 83 H THR 7 H THR 7 2.235 -6.017 8.198 84 HA THR 7 HA THR 7 0.429 -5.519 10.415 85 HB THR 7 HB THR 7 1.122 -3.683 8.093 86 HG1 THR 7 HG1 THR 7 2.471 -3.000 10.180 87 1HG2 THR 7 1HG2 THR 7 0.417 -2.965 10.967 88 2HG2 THR 7 2HG2 THR 7 0.571 -1.877 9.566 89 3HG2 THR 7 3HG2 THR 7 -0.777 -2.990 9.647 90 H ILE 8 H ILE 8 0.154 -5.703 6.850 91 HA ILE 8 HA ILE 8 -2.603 -4.899 6.717 92 HB ILE 8 HB ILE 8 -1.146 -6.682 4.723 93 1HG1 ILE 8 1HG1 ILE 8 -1.036 -3.678 5.155 94 2HG1 ILE 8 2HG1 ILE 8 0.287 -4.806 5.012 95 1HG2 ILE 8 1HG2 ILE 8 -3.614 -6.509 4.442 96 2HG2 ILE 8 2HG2 ILE 8 -3.483 -4.737 4.418 97 3HG2 ILE 8 3HG2 ILE 8 -2.739 -5.722 3.141 98 1HD1 ILE 8 1HD1 ILE 8 0.186 -3.461 3.044 99 2HD1 ILE 8 2HD1 ILE 8 -0.202 -5.133 2.605 100 3HD1 ILE 8 3HD1 ILE 8 -1.485 -3.899 2.720 101 H ALA 9 H ALA 9 -1.076 -8.116 6.898 102 HA ALA 9 HA ALA 9 -3.420 -9.711 6.970 103 1HB ALA 9 1HB ALA 9 -1.116 -10.549 6.558 104 2HB ALA 9 2HB ALA 9 -0.678 -10.166 8.236 105 3HB ALA 9 3HB ALA 9 -1.904 -11.402 7.906 106 H ARG 10 H ARG 10 -1.548 -8.188 9.633 107 HA ARG 10 HA ARG 10 -2.670 -9.271 11.863 108 1HB ARG 10 1HB ARG 10 -1.538 -7.697 12.994 109 2HB ARG 10 2HB ARG 10 -0.980 -7.151 11.423 110 1HG ARG 10 1HG ARG 10 -3.007 -5.580 11.391 111 2HG ARG 10 2HG ARG 10 -3.262 -5.998 13.082 112 1HD ARG 10 1HD ARG 10 -1.351 -4.897 13.797 113 2HD ARG 10 2HD ARG 10 -0.574 -4.959 12.203 114 HE ARG 10 HE ARG 10 -2.715 -3.503 11.592 115 1HH1 ARG 10 1HH1 ARG 10 -0.506 -3.008 14.253 116 2HH1 ARG 10 2HH1 ARG 10 -0.767 -1.285 14.306 117 1HH2 ARG 10 1HH2 ARG 10 -3.069 -1.309 11.702 118 2HH2 ARG 10 2HH2 ARG 10 -2.207 -0.348 12.862 119 H MET 11 H MET 11 -4.348 -7.116 9.779 120 HA MET 11 HA MET 11 -6.464 -6.051 11.243 121 1HB MET 11 1HB MET 11 -6.418 -7.288 8.463 122 2HB MET 11 2HB MET 11 -7.762 -6.326 9.089 123 1HG MET 11 1HG MET 11 -4.958 -5.192 9.040 124 2HG MET 11 2HG MET 11 -5.947 -5.203 7.588 125 1HE MET 11 1HE MET 11 -4.585 -2.896 8.687 126 2HE MET 11 2HE MET 11 -5.677 -1.559 9.130 127 3HE MET 11 3HE MET 11 -5.031 -2.633 10.394 128 H THR 12 H THR 12 -6.184 -9.345 9.978 129 HA THR 12 HA THR 12 -8.096 -10.360 12.005 130 HB THR 12 HB THR 12 -9.437 -11.637 10.280 131 HG1 THR 12 HG1 THR 12 -7.798 -11.135 8.656 132 1HG2 THR 12 1HG2 THR 12 -10.375 -9.548 11.292 133 2HG2 THR 12 2HG2 THR 12 -9.759 -8.649 9.889 134 3HG2 THR 12 3HG2 THR 12 -10.971 -9.925 9.662 135 H GLY 13 H GLY 13 -5.274 -10.916 10.153 136 1HA GLY 13 1HA GLY 13 -3.874 -12.687 10.031 137 2HA GLY 13 2HA GLY 13 -4.943 -13.659 11.069 138 H ILE 14 H ILE 14 -7.210 -13.920 9.665 139 HA ILE 14 HA ILE 14 -6.655 -15.987 7.932 140 HB ILE 14 HB ILE 14 -8.776 -16.440 7.827 141 1HG1 ILE 14 1HG1 ILE 14 -9.392 -14.918 6.007 142 2HG1 ILE 14 2HG1 ILE 14 -10.672 -15.224 7.152 143 1HG2 ILE 14 1HG2 ILE 14 -10.190 -15.577 9.577 144 2HG2 ILE 14 2HG2 ILE 14 -8.526 -15.694 10.162 145 3HG2 ILE 14 3HG2 ILE 14 -9.216 -14.114 9.729 146 1HD1 ILE 14 1HD1 ILE 14 -10.435 -12.825 6.316 147 2HD1 ILE 14 2HD1 ILE 14 -10.573 -13.034 8.073 148 3HD1 ILE 14 3HD1 ILE 14 -8.992 -12.726 7.341 149 H ARG 15 H ARG 15 -6.694 -12.717 7.071 150 HA ARG 15 HA ARG 15 -6.933 -12.808 4.204 151 1HB ARG 15 1HB ARG 15 -5.433 -10.846 6.013 152 2HB ARG 15 2HB ARG 15 -5.801 -10.585 4.297 153 1HG ARG 15 1HG ARG 15 -8.159 -10.543 4.711 154 2HG ARG 15 2HG ARG 15 -7.950 -11.067 6.367 155 1HD ARG 15 1HD ARG 15 -6.533 -8.963 6.764 156 2HD ARG 15 2HD ARG 15 -7.189 -8.377 5.221 157 HE ARG 15 HE ARG 15 -9.009 -9.366 7.374 158 1HH1 ARG 15 1HH1 ARG 15 -7.611 -6.508 6.049 159 2HH1 ARG 15 2HH1 ARG 15 -8.925 -5.469 6.553 160 1HH2 ARG 15 1HH2 ARG 15 -10.804 -8.097 7.809 161 2HH2 ARG 15 2HH2 ARG 15 -10.743 -6.385 7.510 162 H GLU 16 H GLU 16 -4.184 -13.539 6.354 163 HA GLU 16 HA GLU 16 -2.164 -12.816 4.542 164 1HB GLU 16 1HB GLU 16 -2.026 -13.453 7.065 165 2HB GLU 16 2HB GLU 16 -1.707 -15.088 6.492 166 1HG GLU 16 1HG GLU 16 0.209 -14.276 5.190 167 2HG GLU 16 2HG GLU 16 -0.234 -12.610 5.489 168 H ALA 17 H ALA 17 -3.926 -15.853 4.775 169 HA ALA 17 HA ALA 17 -2.551 -17.435 2.851 170 1HB ALA 17 1HB ALA 17 -4.683 -18.680 2.807 171 2HB ALA 17 2HB ALA 17 -4.272 -18.234 4.475 172 3HB ALA 17 3HB ALA 17 -5.519 -17.325 3.592 173 H THR 18 H THR 18 -4.890 -14.841 2.500 174 HA THR 18 HA THR 18 -5.329 -15.196 -0.390 175 HB THR 18 HB THR 18 -6.478 -13.500 1.820 176 HG1 THR 18 HG1 THR 18 -7.760 -14.871 -0.254 177 1HG2 THR 18 1HG2 THR 18 -6.184 -11.865 0.023 178 2HG2 THR 18 2HG2 THR 18 -6.954 -12.994 -1.126 179 3HG2 THR 18 3HG2 THR 18 -7.871 -12.307 0.241 180 H LEU 19 H LEU 19 -3.760 -12.832 1.796 181 HA LEU 19 HA LEU 19 -2.724 -11.049 -0.163 182 1HB LEU 19 1HB LEU 19 -1.598 -11.867 2.544 183 2HB LEU 19 2HB LEU 19 -1.077 -10.457 1.635 184 HG LEU 19 HG LEU 19 -3.959 -10.776 2.512 185 1HD1 LEU 19 1HD1 LEU 19 -1.640 -10.290 4.236 186 2HD1 LEU 19 2HD1 LEU 19 -2.825 -8.977 4.326 187 3HD1 LEU 19 3HD1 LEU 19 -3.316 -10.638 4.645 188 1HD2 LEU 19 1HD2 LEU 19 -4.327 -8.666 1.940 189 2HD2 LEU 19 2HD2 LEU 19 -2.685 -8.105 2.286 190 3HD2 LEU 19 3HD2 LEU 19 -3.018 -8.981 0.784 191 H ARG 20 H ARG 20 -1.142 -13.913 1.349 192 HA ARG 20 HA ARG 20 1.241 -13.847 -0.326 193 1HB ARG 20 1HB ARG 20 -0.118 -16.062 1.258 194 2HB ARG 20 2HB ARG 20 1.423 -16.277 0.434 195 1HG ARG 20 1HG ARG 20 0.966 -14.195 2.590 196 2HG ARG 20 2HG ARG 20 1.538 -15.817 2.914 197 1HD ARG 20 1HD ARG 20 3.411 -15.244 1.096 198 2HD ARG 20 2HD ARG 20 3.004 -13.576 1.496 199 HE ARG 20 HE ARG 20 4.575 -15.470 3.035 200 1HH1 ARG 20 1HH1 ARG 20 2.105 -12.979 3.737 201 2HH1 ARG 20 2HH1 ARG 20 2.486 -13.157 5.462 202 1HH2 ARG 20 1HH2 ARG 20 4.771 -15.537 5.336 203 2HH2 ARG 20 2HH2 ARG 20 3.704 -14.468 6.247 204 H ALA 21 H ALA 21 -1.938 -15.459 -0.709 205 HA ALA 21 HA ALA 21 -1.286 -16.838 -3.131 206 1HB ALA 21 1HB ALA 21 -3.818 -15.852 -1.844 207 2HB ALA 21 2HB ALA 21 -3.858 -16.299 -3.549 208 3HB ALA 21 3HB ALA 21 -3.348 -17.492 -2.322 209 H TRP 22 H TRP 22 -2.822 -13.567 -2.718 210 HA TRP 22 HA TRP 22 -2.894 -12.879 -5.412 211 1HB TRP 22 1HB TRP 22 -2.338 -11.013 -3.128 212 2HB TRP 22 2HB TRP 22 -2.876 -10.603 -4.769 213 HD1 TRP 22 HD1 TRP 22 -5.190 -12.913 -4.836 214 HE1 TRP 22 HE1 TRP 22 -7.426 -12.201 -3.778 215 HE3 TRP 22 HE3 TRP 22 -3.490 -9.266 -1.705 216 HZ2 TRP 22 HZ2 TRP 22 -8.335 -10.294 -1.884 217 HZ3 TRP 22 HZ3 TRP 22 -5.059 -8.003 -0.278 218 HH2 TRP 22 HH2 TRP 22 -7.503 -8.507 -0.325 219 H GLU 23 H GLU 23 -0.100 -12.501 -3.248 220 HA GLU 23 HA GLU 23 1.636 -11.041 -4.830 221 1HB GLU 23 1HB GLU 23 1.892 -12.081 -2.499 222 2HB GLU 23 2HB GLU 23 2.457 -13.538 -3.303 223 1HG GLU 23 1HG GLU 23 3.826 -11.034 -4.190 224 2HG GLU 23 2HG GLU 23 3.968 -11.363 -2.470 225 H ARG 24 H ARG 24 0.906 -14.519 -5.217 226 HA ARG 24 HA ARG 24 2.351 -14.529 -7.830 227 1HB ARG 24 1HB ARG 24 2.748 -16.301 -5.997 228 2HB ARG 24 2HB ARG 24 1.160 -16.936 -6.415 229 1HG ARG 24 1HG ARG 24 2.634 -16.556 -8.879 230 2HG ARG 24 2HG ARG 24 3.747 -17.277 -7.747 231 1HD ARG 24 1HD ARG 24 1.010 -18.532 -7.949 232 2HD ARG 24 2HD ARG 24 2.072 -18.655 -9.355 233 HE ARG 24 HE ARG 24 3.524 -19.374 -6.999 234 1HH1 ARG 24 1HH1 ARG 24 1.108 -20.689 -9.141 235 2HH1 ARG 24 2HH1 ARG 24 1.649 -22.338 -8.963 236 1HH2 ARG 24 1HH2 ARG 24 4.238 -21.507 -6.801 237 2HH2 ARG 24 2HH2 ARG 24 3.400 -22.776 -7.640 238 H ARG 25 H ARG 25 -0.858 -14.438 -6.597 239 HA ARG 25 HA ARG 25 -2.129 -15.568 -8.993 240 1HB ARG 25 1HB ARG 25 -2.841 -15.734 -6.476 241 2HB ARG 25 2HB ARG 25 -3.606 -14.168 -6.772 242 1HG ARG 25 1HG ARG 25 -4.982 -15.196 -8.537 243 2HG ARG 25 2HG ARG 25 -4.233 -16.763 -8.219 244 1HD ARG 25 1HD ARG 25 -5.576 -15.175 -5.992 245 2HD ARG 25 2HD ARG 25 -6.522 -16.196 -7.082 246 HE ARG 25 HE ARG 25 -4.398 -17.764 -6.083 247 1HH1 ARG 25 1HH1 ARG 25 -7.270 -16.253 -4.780 248 2HH1 ARG 25 2HH1 ARG 25 -7.471 -17.439 -3.518 249 1HH2 ARG 25 1HH2 ARG 25 -4.725 -19.316 -4.472 250 2HH2 ARG 25 2HH2 ARG 25 -6.045 -19.132 -3.363 251 H TYR 26 H TYR 26 -1.521 -12.296 -7.878 252 HA TYR 26 HA TYR 26 -2.398 -11.212 -10.510 253 1HB TYR 26 1HB TYR 26 -3.441 -9.930 -7.962 254 2HB TYR 26 2HB TYR 26 -3.815 -9.479 -9.621 255 HD1 TYR 26 HD1 TYR 26 -5.265 -11.021 -11.036 256 HD2 TYR 26 HD2 TYR 26 -4.604 -11.624 -6.819 257 HE1 TYR 26 HE1 TYR 26 -7.111 -12.679 -10.993 258 HE2 TYR 26 HE2 TYR 26 -6.429 -13.320 -6.796 259 HH TYR 26 HH TYR 26 -8.074 -14.350 -9.758 260 H GLY 27 H GLY 27 -0.813 -10.618 -7.387 261 1HA GLY 27 1HA GLY 27 1.203 -9.436 -7.126 262 2HA GLY 27 2HA GLY 27 0.844 -8.426 -8.517 263 H PHE 28 H PHE 28 -2.027 -8.504 -6.767 264 HA PHE 28 HA PHE 28 -1.498 -5.882 -5.519 265 1HB PHE 28 1HB PHE 28 -3.474 -5.971 -6.797 266 2HB PHE 28 2HB PHE 28 -3.947 -7.512 -6.120 267 HD1 PHE 28 HD1 PHE 28 -4.041 -3.864 -5.641 268 HD2 PHE 28 HD2 PHE 28 -4.947 -7.690 -3.855 269 HE1 PHE 28 HE1 PHE 28 -5.636 -2.776 -4.091 270 HE2 PHE 28 HE2 PHE 28 -6.600 -6.602 -2.372 271 HZ PHE 28 HZ PHE 28 -6.955 -4.144 -2.501 272 HA PRO 29 HA PRO 29 -1.729 -4.589 -3.729 273 1HB PRO 29 1HB PRO 29 -0.330 -3.953 -1.482 274 2HB PRO 29 2HB PRO 29 -2.102 -4.153 -1.540 275 1HG PRO 29 1HG PRO 29 -0.025 -6.167 -0.628 276 2HG PRO 29 2HG PRO 29 -1.538 -5.701 0.202 277 1HD PRO 29 1HD PRO 29 -1.331 -7.917 -1.405 278 2HD PRO 29 2HD PRO 29 -2.844 -6.975 -1.280 279 H ARG 30 H ARG 30 -0.018 -3.585 -4.633 280 HA ARG 30 HA ARG 30 2.119 -5.238 -5.650 281 1HB ARG 30 1HB ARG 30 0.771 -2.750 -6.336 282 2HB ARG 30 2HB ARG 30 2.496 -2.496 -6.403 283 1HG ARG 30 1HG ARG 30 1.366 -4.969 -7.758 284 2HG ARG 30 2HG ARG 30 1.065 -3.388 -8.465 285 1HD ARG 30 1HD ARG 30 3.649 -3.024 -8.203 286 2HD ARG 30 2HD ARG 30 3.719 -4.794 -8.097 287 HE ARG 30 HE ARG 30 2.169 -4.408 -10.303 288 1HH1 ARG 30 1HH1 ARG 30 5.334 -3.156 -9.537 289 2HH1 ARG 30 2HH1 ARG 30 5.691 -2.702 -11.183 290 1HH2 ARG 30 1HH2 ARG 30 2.621 -3.770 -12.406 291 2HH2 ARG 30 2HH2 ARG 30 4.160 -3.062 -12.774 292 HA PRO 31 HA PRO 31 4.752 -4.142 -2.211 293 1HB PRO 31 1HB PRO 31 7.056 -5.416 -2.934 294 2HB PRO 31 2HB PRO 31 5.571 -6.278 -2.402 295 1HG PRO 31 1HG PRO 31 6.468 -5.770 -5.247 296 2HG PRO 31 2HG PRO 31 5.962 -7.323 -4.499 297 1HD PRO 31 1HD PRO 31 4.227 -5.792 -5.913 298 2HD PRO 31 2HD PRO 31 3.694 -6.663 -4.441 299 H LEU 32 H LEU 32 5.615 -2.174 -1.874 300 HA LEU 32 HA LEU 32 6.350 -0.503 -4.107 301 1HB LEU 32 1HB LEU 32 6.272 -0.123 -1.104 302 2HB LEU 32 2HB LEU 32 7.186 0.998 -2.102 303 HG LEU 32 HG LEU 32 5.097 1.326 -3.503 304 1HD1 LEU 32 1HD1 LEU 32 3.334 0.614 -1.223 305 2HD1 LEU 32 2HD1 LEU 32 3.045 0.526 -2.953 306 3HD1 LEU 32 3HD1 LEU 32 3.922 -0.773 -2.143 307 1HD2 LEU 32 1HD2 LEU 32 5.901 2.984 -1.867 308 2HD2 LEU 32 2HD2 LEU 32 4.130 2.914 -1.885 309 3HD2 LEU 32 3HD2 LEU 32 5.034 2.139 -0.566 310 H ARG 33 H ARG 33 8.287 0.337 -4.701 311 HA ARG 33 HA ARG 33 10.363 -1.650 -4.748 312 1HB ARG 33 1HB ARG 33 9.325 0.039 -6.549 313 2HB ARG 33 2HB ARG 33 10.684 1.041 -6.107 314 1HG ARG 33 1HG ARG 33 11.006 -1.895 -6.908 315 2HG ARG 33 2HG ARG 33 10.781 -0.623 -8.098 316 1HD ARG 33 1HD ARG 33 12.810 0.549 -6.966 317 2HD ARG 33 2HD ARG 33 13.161 -1.036 -6.272 318 HE ARG 33 HE ARG 33 13.436 -0.152 -9.040 319 1HH1 ARG 33 1HH1 ARG 33 13.124 -3.069 -7.143 320 2HH1 ARG 33 2HH1 ARG 33 13.566 -4.117 -8.463 321 1HH2 ARG 33 1HH2 ARG 33 13.970 -1.519 -10.729 322 2HH2 ARG 33 2HH2 ARG 33 14.046 -3.230 -10.457 323 H SER 34 H SER 34 10.968 -1.665 -2.559 324 HA SER 34 HA SER 34 13.072 0.290 -1.799 325 1HB SER 34 1HB SER 34 10.419 0.369 -0.847 326 2HB SER 34 2HB SER 34 11.313 -0.418 0.456 327 HG SER 34 HG SER 34 12.831 1.457 0.181 328 H GLU 35 H GLU 35 13.635 -0.614 0.759 329 HA GLU 35 HA GLU 35 14.963 -3.132 0.287 330 1HB GLU 35 1HB GLU 35 15.423 -0.953 1.951 331 2HB GLU 35 2HB GLU 35 14.721 -2.109 3.074 332 1HG GLU 35 1HG GLU 35 16.515 -3.723 1.713 333 2HG GLU 35 2HG GLU 35 17.329 -2.162 1.605 334 H GLY 36 H GLY 36 14.824 -4.733 2.315 335 1HA GLY 36 1HA GLY 36 13.414 -6.197 3.561 336 2HA GLY 36 2HA GLY 36 11.982 -5.502 2.800 337 H ASN 37 H ASN 37 13.898 -8.181 2.875 338 HA ASN 37 HA ASN 37 13.293 -9.057 0.084 339 1HB ASN 37 1HB ASN 37 15.595 -9.323 0.792 340 2HB ASN 37 2HB ASN 37 15.116 -10.211 2.241 341 1HD2 ASN 37 1HD2 ASN 37 15.520 -12.450 1.972 342 2HD2 ASN 37 2HD2 ASN 37 15.251 -13.213 0.402 343 H ASN 38 H ASN 38 13.204 -10.722 3.275 344 HA ASN 38 HA ASN 38 11.128 -12.560 2.587 345 1HB ASN 38 1HB ASN 38 12.767 -12.906 4.387 346 2HB ASN 38 2HB ASN 38 12.146 -11.508 5.272 347 1HD2 ASN 38 1HD2 ASN 38 10.261 -11.773 6.582 348 2HD2 ASN 38 2HD2 ASN 38 9.514 -13.381 6.686 349 H TYR 39 H TYR 39 11.003 -9.265 3.574 350 HA TYR 39 HA TYR 39 8.051 -9.275 3.935 351 1HB TYR 39 1HB TYR 39 9.461 -6.990 5.134 352 2HB TYR 39 2HB TYR 39 8.215 -8.013 5.810 353 HD1 TYR 39 HD1 TYR 39 11.876 -7.634 5.255 354 HD2 TYR 39 HD2 TYR 39 8.798 -9.778 7.388 355 HE1 TYR 39 HE1 TYR 39 13.619 -8.725 6.651 356 HE2 TYR 39 HE2 TYR 39 10.559 -10.843 8.825 357 HH TYR 39 HH TYR 39 14.027 -10.261 8.330 358 H ARG 40 H ARG 40 6.994 -7.487 2.955 359 HA ARG 40 HA ARG 40 8.601 -5.875 1.013 360 1HB ARG 40 1HB ARG 40 5.756 -6.920 0.643 361 2HB ARG 40 2HB ARG 40 6.650 -5.875 -0.447 362 1HG ARG 40 1HG ARG 40 7.043 -7.859 -1.527 363 2HG ARG 40 2HG ARG 40 8.420 -7.883 -0.434 364 1HD ARG 40 1HD ARG 40 7.381 -10.060 -0.440 365 2HD ARG 40 2HD ARG 40 7.063 -9.321 1.135 366 HE ARG 40 HE ARG 40 4.961 -8.873 -0.859 367 1HH1 ARG 40 1HH1 ARG 40 6.050 -11.136 1.545 368 2HH1 ARG 40 2HH1 ARG 40 4.486 -11.853 1.793 369 1HH2 ARG 40 1HH2 ARG 40 2.980 -9.796 -0.611 370 2HH2 ARG 40 2HH2 ARG 40 2.743 -11.118 0.489 371 H VAL 41 H VAL 41 7.719 -3.746 0.608 372 HA VAL 41 HA VAL 41 6.315 -2.633 2.986 373 HB VAL 41 HB VAL 41 7.175 -0.438 2.141 374 1HG1 VAL 41 1HG1 VAL 41 9.280 -2.510 2.885 375 2HG1 VAL 41 2HG1 VAL 41 9.435 -0.750 3.039 376 3HG1 VAL 41 3HG1 VAL 41 8.239 -1.618 4.021 377 1HG2 VAL 41 1HG2 VAL 41 7.748 -1.460 -0.221 378 2HG2 VAL 41 2HG2 VAL 41 8.789 -0.231 0.507 379 3HG2 VAL 41 3HG2 VAL 41 9.257 -1.950 0.543 380 H TYR 42 H TYR 42 4.599 -1.351 2.855 381 HA TYR 42 HA TYR 42 3.115 -0.929 0.310 382 1HB TYR 42 1HB TYR 42 2.235 -2.334 2.866 383 2HB TYR 42 2HB TYR 42 1.145 -1.846 1.568 384 HD1 TYR 42 HD1 TYR 42 1.828 -2.592 -0.838 385 HD2 TYR 42 HD2 TYR 42 3.145 -4.558 2.757 386 HE1 TYR 42 HE1 TYR 42 2.206 -4.642 -2.085 387 HE2 TYR 42 HE2 TYR 42 3.499 -6.681 1.448 388 HH TYR 42 HH TYR 42 2.379 -6.873 -1.943 389 H SER 43 H SER 43 1.486 0.695 0.424 390 HA SER 43 HA SER 43 1.761 2.628 2.675 391 1HB SER 43 1HB SER 43 0.839 2.845 -0.215 392 2HB SER 43 2HB SER 43 0.627 4.144 0.971 393 HG SER 43 HG SER 43 2.586 4.124 -0.385 394 H ARG 44 H ARG 44 -0.204 3.858 3.155 395 HA ARG 44 HA ARG 44 -2.391 2.245 4.030 396 1HB ARG 44 1HB ARG 44 -1.661 4.398 5.036 397 2HB ARG 44 2HB ARG 44 -2.300 5.251 3.634 398 1HG ARG 44 1HG ARG 44 -4.183 5.473 4.832 399 2HG ARG 44 2HG ARG 44 -4.529 3.793 4.463 400 1HD ARG 44 1HD ARG 44 -3.393 3.087 6.552 401 2HD ARG 44 2HD ARG 44 -3.067 4.778 6.949 402 HE ARG 44 HE ARG 44 -5.561 3.338 7.267 403 1HH1 ARG 44 1HH1 ARG 44 -4.416 6.585 6.654 404 2HH1 ARG 44 2HH1 ARG 44 -5.836 7.334 7.330 405 1HH2 ARG 44 1HH2 ARG 44 -7.391 4.340 8.083 406 2HH2 ARG 44 2HH2 ARG 44 -7.477 6.072 8.109 407 H GLU 45 H GLU 45 -1.935 4.025 0.986 408 HA GLU 45 HA GLU 45 -4.635 3.844 0.053 409 1HB GLU 45 1HB GLU 45 -3.638 4.177 -2.195 410 2HB GLU 45 2HB GLU 45 -3.188 5.394 -1.000 411 1HG GLU 45 1HG GLU 45 -1.001 4.356 -0.673 412 2HG GLU 45 2HG GLU 45 -1.395 3.054 -1.801 413 H GLU 46 H GLU 46 -1.898 1.488 -0.271 414 HA GLU 46 HA GLU 46 -3.535 -0.437 -1.710 415 1HB GLU 46 1HB GLU 46 -1.074 -0.834 0.055 416 2HB GLU 46 2HB GLU 46 -1.951 -2.119 -0.727 417 1HG GLU 46 1HG GLU 46 -0.292 -1.814 -2.268 418 2HG GLU 46 2HG GLU 46 -1.591 -0.856 -2.962 419 H VAL 47 H VAL 47 -2.732 0.022 1.765 420 HA VAL 47 HA VAL 47 -4.288 -2.131 2.744 421 HB VAL 47 HB VAL 47 -3.529 0.475 4.073 422 1HG1 VAL 47 1HG1 VAL 47 -4.148 -0.624 6.241 423 2HG1 VAL 47 2HG1 VAL 47 -5.548 -0.206 5.251 424 3HG1 VAL 47 3HG1 VAL 47 -4.987 -1.892 5.318 425 1HG2 VAL 47 1HG2 VAL 47 -2.679 -2.416 4.460 426 2HG2 VAL 47 2HG2 VAL 47 -1.751 -1.215 3.536 427 3HG2 VAL 47 3HG2 VAL 47 -1.972 -1.010 5.284 428 H GLU 48 H GLU 48 -5.454 1.202 2.063 429 HA GLU 48 HA GLU 48 -8.092 0.969 2.994 430 1HB GLU 48 1HB GLU 48 -7.066 3.026 2.113 431 2HB GLU 48 2HB GLU 48 -7.048 2.352 0.490 432 1HG GLU 48 1HG GLU 48 -9.129 3.072 0.107 433 2HG GLU 48 2HG GLU 48 -9.760 2.127 1.448 434 H ALA 49 H ALA 49 -6.974 0.228 -0.335 435 HA ALA 49 HA ALA 49 -9.408 -1.001 -1.205 436 1HB ALA 49 1HB ALA 49 -8.020 -1.844 -3.059 437 2HB ALA 49 2HB ALA 49 -7.693 -0.127 -2.734 438 3HB ALA 49 3HB ALA 49 -6.541 -1.364 -2.190 439 H VAL 50 H VAL 50 -6.342 -2.480 -0.016 440 HA VAL 50 HA VAL 50 -7.120 -5.190 -0.254 441 HB VAL 50 HB VAL 50 -5.179 -3.837 1.644 442 1HG1 VAL 50 1HG1 VAL 50 -5.489 -5.857 2.761 443 2HG1 VAL 50 2HG1 VAL 50 -5.859 -6.754 1.282 444 3HG1 VAL 50 3HG1 VAL 50 -4.193 -6.272 1.622 445 1HG2 VAL 50 1HG2 VAL 50 -4.727 -3.795 -0.901 446 2HG2 VAL 50 2HG2 VAL 50 -3.487 -4.462 0.157 447 3HG2 VAL 50 3HG2 VAL 50 -4.544 -5.548 -0.782 448 H ARG 51 H ARG 51 -7.400 -3.066 2.614 449 HA ARG 51 HA ARG 51 -8.559 -5.026 4.334 450 1HB ARG 51 1HB ARG 51 -7.449 -3.027 5.178 451 2HB ARG 51 2HB ARG 51 -8.600 -1.975 4.355 452 1HG ARG 51 1HG ARG 51 -9.865 -3.881 6.243 453 2HG ARG 51 2HG ARG 51 -8.742 -2.750 7.000 454 1HD ARG 51 1HD ARG 51 -9.937 -0.864 6.354 455 2HD ARG 51 2HD ARG 51 -10.780 -1.692 5.031 456 HE ARG 51 HE ARG 51 -11.807 -3.077 7.007 457 1HH1 ARG 51 1HH1 ARG 51 -11.447 0.402 6.912 458 2HH1 ARG 51 2HH1 ARG 51 -12.762 0.685 8.016 459 1HH2 ARG 51 1HH2 ARG 51 -13.398 -2.697 8.511 460 2HH2 ARG 51 2HH2 ARG 51 -13.861 -1.064 8.879 461 H ARG 52 H ARG 52 -10.008 -2.766 2.045 462 HA ARG 52 HA ARG 52 -12.768 -3.551 2.545 463 1HB ARG 52 1HB ARG 52 -11.284 -2.034 0.410 464 2HB ARG 52 2HB ARG 52 -12.814 -2.791 -0.047 465 1HG ARG 52 1HG ARG 52 -13.992 -1.664 1.727 466 2HG ARG 52 2HG ARG 52 -12.492 -0.973 2.380 467 1HD ARG 52 1HD ARG 52 -12.216 0.511 0.599 468 2HD ARG 52 2HD ARG 52 -13.185 -0.449 -0.518 469 HE ARG 52 HE ARG 52 -14.139 1.574 1.334 470 1HH1 ARG 52 1HH1 ARG 52 -15.143 -1.215 -0.533 471 2HH1 ARG 52 2HH1 ARG 52 -16.833 -0.809 -0.474 472 1HH2 ARG 52 1HH2 ARG 52 -16.337 2.071 1.403 473 2HH2 ARG 52 2HH2 ARG 52 -17.482 1.026 0.619 474 H VAL 53 H VAL 53 -10.553 -4.543 -0.107 475 HA VAL 53 HA VAL 53 -12.092 -6.558 -1.248 476 HB VAL 53 HB VAL 53 -9.063 -6.584 -0.905 477 1HG1 VAL 53 1HG1 VAL 53 -9.155 -8.054 -2.959 478 2HG1 VAL 53 2HG1 VAL 53 -9.789 -8.778 -1.481 479 3HG1 VAL 53 3HG1 VAL 53 -10.910 -8.188 -2.695 480 1HG2 VAL 53 1HG2 VAL 53 -9.172 -4.779 -2.268 481 2HG2 VAL 53 2HG2 VAL 53 -9.528 -5.920 -3.538 482 3HG2 VAL 53 3HG2 VAL 53 -10.851 -5.061 -2.721 483 H ALA 54 H ALA 54 -9.813 -7.001 1.465 484 HA ALA 54 HA ALA 54 -10.204 -9.727 2.017 485 1HB ALA 54 1HB ALA 54 -9.553 -8.951 4.340 486 2HB ALA 54 2HB ALA 54 -8.424 -8.496 3.031 487 3HB ALA 54 3HB ALA 54 -9.546 -7.297 3.727 488 H ARG 55 H ARG 55 -12.111 -6.932 3.297 489 HA ARG 55 HA ARG 55 -13.839 -8.708 4.875 490 1HB ARG 55 1HB ARG 55 -13.303 -6.192 5.315 491 2HB ARG 55 2HB ARG 55 -14.518 -5.861 4.067 492 1HG ARG 55 1HG ARG 55 -16.102 -7.401 5.453 493 2HG ARG 55 2HG ARG 55 -14.849 -7.381 6.695 494 1HD ARG 55 1HD ARG 55 -16.122 -5.638 7.448 495 2HD ARG 55 2HD ARG 55 -15.040 -4.735 6.370 496 HE ARG 55 HE ARG 55 -17.464 -5.745 5.065 497 1HH1 ARG 55 1HH1 ARG 55 -16.309 -3.068 6.975 498 2HH1 ARG 55 2HH1 ARG 55 -17.644 -2.027 6.545 499 1HH2 ARG 55 1HH2 ARG 55 -19.168 -4.454 4.562 500 2HH2 ARG 55 2HH2 ARG 55 -19.248 -2.821 5.165 501 H LEU 56 H LEU 56 -14.002 -7.111 1.720 502 HA LEU 56 HA LEU 56 -16.592 -7.894 0.927 503 1HB LEU 56 1HB LEU 56 -14.257 -6.689 -0.266 504 2HB LEU 56 2HB LEU 56 -14.717 -7.999 -1.267 505 HG LEU 56 HG LEU 56 -15.785 -6.206 -2.219 506 1HD1 LEU 56 1HD1 LEU 56 -18.067 -7.069 -0.401 507 2HD1 LEU 56 2HD1 LEU 56 -18.132 -6.489 -2.069 508 3HD1 LEU 56 3HD1 LEU 56 -17.438 -8.079 -1.722 509 1HD2 LEU 56 1HD2 LEU 56 -17.009 -4.451 -1.026 510 2HD2 LEU 56 2HD2 LEU 56 -16.613 -5.222 0.530 511 3HD2 LEU 56 3HD2 LEU 56 -15.321 -4.559 -0.500 512 H ILE 57 H ILE 57 -13.516 -9.655 0.717 513 HA ILE 57 HA ILE 57 -14.452 -12.088 -0.400 514 HB ILE 57 HB ILE 57 -12.095 -11.236 1.237 515 1HG1 ILE 57 1HG1 ILE 57 -12.222 -12.647 -1.440 516 2HG1 ILE 57 2HG1 ILE 57 -12.533 -10.919 -1.305 517 1HG2 ILE 57 1HG2 ILE 57 -12.641 -14.160 0.597 518 2HG2 ILE 57 2HG2 ILE 57 -11.062 -13.503 1.061 519 3HG2 ILE 57 3HG2 ILE 57 -12.396 -13.433 2.197 520 1HD1 ILE 57 1HD1 ILE 57 -10.266 -11.183 -1.856 521 2HD1 ILE 57 2HD1 ILE 57 -10.317 -10.622 -0.176 522 3HD1 ILE 57 3HD1 ILE 57 -9.970 -12.328 -0.533 523 H GLN 58 H GLN 58 -14.581 -11.019 3.014 524 HA GLN 58 HA GLN 58 -15.588 -13.576 3.958 525 1HB GLN 58 1HB GLN 58 -15.197 -10.865 5.099 526 2HB GLN 58 2HB GLN 58 -16.665 -11.659 5.659 527 1HG GLN 58 1HG GLN 58 -15.295 -13.683 6.252 528 2HG GLN 58 2HG GLN 58 -13.838 -12.778 5.803 529 1HE2 GLN 58 1HE2 GLN 58 -12.820 -12.411 7.868 530 2HE2 GLN 58 2HE2 GLN 58 -13.777 -11.698 9.183 531 H GLU 59 H GLU 59 -17.072 -11.127 1.961 532 HA GLU 59 HA GLU 59 -19.783 -12.026 2.705 533 1HB GLU 59 1HB GLU 59 -19.186 -10.125 0.439 534 2HB GLU 59 2HB GLU 59 -20.646 -10.327 1.403 535 1HG GLU 59 1HG GLU 59 -18.891 -9.611 3.389 536 2HG GLU 59 2HG GLU 59 -18.112 -8.843 2.013 537 H GLU 60 H GLU 60 -17.551 -12.372 -0.046 538 HA GLU 60 HA GLU 60 -19.094 -14.815 -0.857 539 1HB GLU 60 1HB GLU 60 -19.033 -12.298 -2.397 540 2HB GLU 60 2HB GLU 60 -18.411 -13.648 -3.329 541 1HG GLU 60 1HG GLU 60 -20.482 -14.973 -2.636 542 2HG GLU 60 2HG GLU 60 -21.141 -13.449 -2.023 543 H GLY 61 H GLY 61 -15.985 -13.197 -0.977 544 1HA GLY 61 1HA GLY 61 -13.898 -14.234 -1.200 545 2HA GLY 61 2HA GLY 61 -14.672 -15.719 -1.730 546 H LEU 62 H LEU 62 -16.120 -14.618 -3.965 547 HA LEU 62 HA LEU 62 -14.365 -14.531 -6.165 548 1HB LEU 62 1HB LEU 62 -16.595 -14.863 -6.666 549 2HB LEU 62 2HB LEU 62 -17.154 -13.591 -5.593 550 HG LEU 62 HG LEU 62 -16.504 -11.859 -7.186 551 1HD1 LEU 62 1HD1 LEU 62 -14.754 -12.546 -8.596 552 2HD1 LEU 62 2HD1 LEU 62 -15.430 -14.176 -8.819 553 3HD1 LEU 62 3HD1 LEU 62 -16.134 -12.768 -9.644 554 1HD2 LEU 62 1HD2 LEU 62 -18.187 -14.031 -8.487 555 2HD2 LEU 62 2HD2 LEU 62 -18.752 -12.948 -7.195 556 3HD2 LEU 62 3HD2 LEU 62 -18.280 -12.268 -8.752 557 H SER 63 H SER 63 -15.306 -11.899 -4.050 558 HA SER 63 HA SER 63 -14.187 -9.674 -5.346 559 1HB SER 63 1HB SER 63 -14.723 -10.392 -2.496 560 2HB SER 63 2HB SER 63 -13.668 -9.003 -2.838 561 HG SER 63 HG SER 63 -16.221 -9.349 -4.048 562 H VAL 64 H VAL 64 -12.318 -12.381 -4.093 563 HA VAL 64 HA VAL 64 -9.728 -11.171 -4.030 564 HB VAL 64 HB VAL 64 -10.742 -13.873 -4.984 565 1HG1 VAL 64 1HG1 VAL 64 -8.015 -12.694 -5.440 566 2HG1 VAL 64 2HG1 VAL 64 -8.168 -14.432 -5.091 567 3HG1 VAL 64 3HG1 VAL 64 -8.988 -13.733 -6.478 568 1HG2 VAL 64 1HG2 VAL 64 -9.255 -14.677 -3.129 569 2HG2 VAL 64 2HG2 VAL 64 -8.902 -12.985 -2.718 570 3HG2 VAL 64 3HG2 VAL 64 -10.555 -13.630 -2.589 571 H SER 65 H SER 65 -11.449 -12.449 -6.942 572 HA SER 65 HA SER 65 -9.431 -11.042 -8.610 573 1HB SER 65 1HB SER 65 -10.470 -13.393 -9.055 574 2HB SER 65 2HB SER 65 -11.839 -12.481 -9.723 575 HG SER 65 HG SER 65 -10.359 -12.932 -11.354 576 H GLU 66 H GLU 66 -12.902 -10.811 -7.741 577 HA GLU 66 HA GLU 66 -13.511 -8.779 -9.638 578 1HB GLU 66 1HB GLU 66 -14.935 -10.135 -7.496 579 2HB GLU 66 2HB GLU 66 -15.193 -8.405 -7.347 580 1HG GLU 66 1HG GLU 66 -15.577 -8.571 -9.999 581 2HG GLU 66 2HG GLU 66 -15.975 -10.242 -9.594 582 H ALA 67 H ALA 67 -12.777 -8.283 -6.073 583 HA ALA 67 HA ALA 67 -13.073 -5.448 -6.466 584 1HB ALA 67 1HB ALA 67 -13.602 -6.657 -4.367 585 2HB ALA 67 2HB ALA 67 -11.855 -6.860 -4.114 586 3HB ALA 67 3HB ALA 67 -12.567 -5.233 -4.175 587 H ILE 68 H ILE 68 -10.346 -7.661 -6.723 588 HA ILE 68 HA ILE 68 -8.283 -5.622 -6.927 589 HB ILE 68 HB ILE 68 -8.390 -8.475 -7.960 590 1HG1 ILE 68 1HG1 ILE 68 -6.835 -7.036 -5.765 591 2HG1 ILE 68 2HG1 ILE 68 -8.217 -8.067 -5.479 592 1HG2 ILE 68 1HG2 ILE 68 -6.957 -7.146 -9.503 593 2HG2 ILE 68 2HG2 ILE 68 -6.078 -6.471 -8.110 594 3HG2 ILE 68 3HG2 ILE 68 -5.977 -8.200 -8.517 595 1HD1 ILE 68 1HD1 ILE 68 -5.488 -8.974 -6.491 596 2HD1 ILE 68 2HD1 ILE 68 -6.253 -9.323 -4.943 597 3HD1 ILE 68 3HD1 ILE 68 -6.904 -10.018 -6.434 598 H ALA 69 H ALA 69 -10.166 -7.401 -9.519 599 HA ALA 69 HA ALA 69 -9.151 -5.782 -11.621 600 1HB ALA 69 1HB ALA 69 -11.802 -7.265 -11.426 601 2HB ALA 69 2HB ALA 69 -11.034 -6.675 -12.919 602 3HB ALA 69 3HB ALA 69 -10.249 -7.948 -11.965 603 H GLN 70 H GLN 70 -12.037 -5.305 -9.562 604 HA GLN 70 HA GLN 70 -13.018 -2.883 -10.665 605 1HB GLN 70 1HB GLN 70 -13.001 -3.930 -7.844 606 2HB GLN 70 2HB GLN 70 -13.826 -2.455 -8.308 607 1HG GLN 70 1HG GLN 70 -15.418 -3.576 -9.659 608 2HG GLN 70 2HG GLN 70 -14.511 -5.079 -9.681 609 1HE2 GLN 70 1HE2 GLN 70 -16.798 -6.212 -8.735 610 2HE2 GLN 70 2HE2 GLN 70 -16.897 -5.859 -7.042 611 H VAL 71 H VAL 71 -10.702 -3.128 -7.776 612 HA VAL 71 HA VAL 71 -10.202 -0.320 -7.946 613 HB VAL 71 HB VAL 71 -9.795 -1.818 -5.952 614 1HG1 VAL 71 1HG1 VAL 71 -7.035 -2.203 -7.188 615 2HG1 VAL 71 2HG1 VAL 71 -7.587 -2.720 -5.581 616 3HG1 VAL 71 3HG1 VAL 71 -8.273 -3.464 -7.018 617 1HG2 VAL 71 1HG2 VAL 71 -7.661 0.225 -6.689 618 2HG2 VAL 71 2HG2 VAL 71 -9.242 0.559 -5.956 619 3HG2 VAL 71 3HG2 VAL 71 -8.022 -0.363 -5.061 620 H LYS 72 H LYS 72 -8.707 -2.920 -9.798 621 HA LYS 72 HA LYS 72 -6.583 -1.305 -10.930 622 1HB LYS 72 1HB LYS 72 -8.099 -3.648 -12.156 623 2HB LYS 72 2HB LYS 72 -6.684 -2.904 -12.854 624 1HG LYS 72 1HG LYS 72 -6.103 -3.686 -10.092 625 2HG LYS 72 2HG LYS 72 -6.829 -5.031 -10.974 626 1HD LYS 72 1HD LYS 72 -4.518 -5.274 -11.263 627 2HD LYS 72 2HD LYS 72 -5.134 -4.693 -12.810 628 1HE LYS 72 1HE LYS 72 -3.829 -2.854 -12.732 629 2HE LYS 72 2HE LYS 72 -4.489 -2.403 -11.158 630 1HZ LYS 72 1HZ LYS 72 -2.252 -4.287 -11.596 631 2HZ LYS 72 2HZ LYS 72 -2.125 -2.754 -10.999 632 3HZ LYS 72 3HZ LYS 72 -2.900 -3.919 -10.131 633 H THR 73 H THR 73 -10.011 -1.716 -11.933 634 HA THR 73 HA THR 73 -9.593 0.254 -14.101 635 HB THR 73 HB THR 73 -10.969 -1.699 -14.546 636 HG1 THR 73 HG1 THR 73 -11.276 0.517 -15.449 637 1HG2 THR 73 1HG2 THR 73 -12.847 -0.596 -12.438 638 2HG2 THR 73 2HG2 THR 73 -13.434 -1.552 -13.805 639 3HG2 THR 73 3HG2 THR 73 -12.276 -2.252 -12.682 640 H GLU 74 H GLU 74 -10.799 0.304 -10.845 641 HA GLU 74 HA GLU 74 -11.498 3.204 -11.017 642 1HB GLU 74 1HB GLU 74 -12.548 0.987 -9.227 643 2HB GLU 74 2HB GLU 74 -12.880 2.702 -8.988 644 1HG GLU 74 1HG GLU 74 -14.049 2.870 -11.091 645 2HG GLU 74 2HG GLU 74 -13.608 1.230 -11.547 646 HA PRO 75 HA PRO 75 -7.719 2.739 -8.364 647 1HB PRO 75 1HB PRO 75 -6.308 4.929 -9.282 648 2HB PRO 75 2HB PRO 75 -6.290 3.320 -10.071 649 1HG PRO 75 1HG PRO 75 -7.983 5.735 -10.787 650 2HG PRO 75 2HG PRO 75 -7.020 4.687 -11.883 651 1HD PRO 75 1HD PRO 75 -9.697 4.348 -11.539 652 2HD PRO 75 2HD PRO 75 -8.604 2.947 -11.758 653 HA PRO 76 HA PRO 76 -9.216 5.594 -5.361 654 1HB PRO 76 1HB PRO 76 -7.116 5.910 -3.628 655 2HB PRO 76 2HB PRO 76 -8.002 4.366 -3.820 656 1HG PRO 76 1HG PRO 76 -5.384 5.189 -5.115 657 2HG PRO 76 2HG PRO 76 -5.772 3.651 -4.276 658 1HD PRO 76 1HD PRO 76 -5.877 3.918 -7.000 659 2HD PRO 76 2HD PRO 76 -7.019 2.860 -6.112 660 H ARG 77 H ARG 77 -9.328 7.754 -4.780 661 HA ARG 77 HA ARG 77 -7.230 9.652 -5.545 662 1HB ARG 77 1HB ARG 77 -8.812 9.160 -7.596 663 2HB ARG 77 2HB ARG 77 -9.998 10.110 -6.718 664 1HG ARG 77 1HG ARG 77 -8.901 11.652 -8.135 665 2HG ARG 77 2HG ARG 77 -8.186 11.945 -6.547 666 1HD ARG 77 1HD ARG 77 -6.620 9.885 -7.821 667 2HD ARG 77 2HD ARG 77 -6.923 11.097 -9.053 668 HE ARG 77 HE ARG 77 -5.152 11.291 -6.795 669 1HH1 ARG 77 1HH1 ARG 77 -7.249 13.357 -8.655 670 2HH1 ARG 77 2HH1 ARG 77 -6.348 14.808 -8.294 671 1HH2 ARG 77 1HH2 ARG 77 -4.064 13.159 -6.281 672 2HH2 ARG 77 2HH2 ARG 77 -4.541 14.672 -6.986 673 H GLU 78 H GLU 78 -7.006 10.357 -3.505 674 HA GLU 78 HA GLU 78 -9.220 11.931 -2.283 675 1HB GLU 78 1HB GLU 78 -6.458 11.205 -1.204 676 2HB GLU 78 2HB GLU 78 -7.545 12.398 -0.493 677 1HG GLU 78 1HG GLU 78 -9.239 10.237 -0.648 678 2HG GLU 78 2HG GLU 78 -7.697 9.421 -0.427 Start of MODEL 2 1 1H GLY -2 1H GLY -2 2.411 18.298 5.609 2 2H GLY -2 2H GLY -2 3.897 19.000 5.681 3 3H GLY -2 3H GLY -2 2.685 19.600 6.585 4 1HA GLY -2 1HA GLY -2 4.215 18.321 7.902 5 2HA GLY -2 2HA GLY -2 2.555 17.722 8.008 6 H SER -1 H SER -1 2.294 15.502 6.455 7 HA SER -1 HA SER -1 4.599 13.946 5.833 8 1HB SER -1 1HB SER -1 3.674 14.041 8.699 9 2HB SER -1 2HB SER -1 4.318 12.516 8.058 10 HG SER -1 HG SER -1 5.667 15.014 7.756 11 H HIS 0 H HIS 0 4.288 11.449 5.975 12 HA HIS 0 HA HIS 0 1.687 10.339 6.510 13 1HB HIS 0 1HB HIS 0 1.197 9.259 4.476 14 2HB HIS 0 2HB HIS 0 1.506 10.929 4.073 15 HD1 HIS 0 HD1 HIS 0 3.258 7.460 3.775 16 HD2 HIS 0 HD2 HIS 0 3.061 11.297 2.029 17 HE1 HIS 0 HE1 HIS 0 4.523 7.311 1.542 18 HE2 HIS 0 HE2 HIS 0 4.409 9.656 0.494 19 H MET 1 H MET 1 1.738 7.710 6.399 20 HA MET 1 HA MET 1 4.291 6.318 6.286 21 1HB MET 1 1HB MET 1 3.356 7.420 8.848 22 2HB MET 1 2HB MET 1 3.473 5.670 8.945 23 1HG MET 1 1HG MET 1 5.738 5.615 8.448 24 2HG MET 1 2HG MET 1 5.729 7.189 7.669 25 1HE MET 1 1HE MET 1 6.015 9.692 9.338 26 2HE MET 1 2HE MET 1 7.583 9.136 9.976 27 3HE MET 1 3HE MET 1 7.078 8.672 8.343 28 H THR 2 H THR 2 4.172 3.882 6.870 29 HA THR 2 HA THR 2 1.883 2.505 7.745 30 HB THR 2 HB THR 2 2.410 2.041 4.798 31 HG1 THR 2 HG1 THR 2 1.037 3.947 5.912 32 1HG2 THR 2 1HG2 THR 2 -0.029 0.964 5.084 33 2HG2 THR 2 2HG2 THR 2 1.394 -0.005 5.362 34 3HG2 THR 2 3HG2 THR 2 0.502 0.704 6.744 35 H LEU 3 H LEU 3 2.294 -0.104 6.949 36 HA LEU 3 HA LEU 3 5.121 -0.848 7.436 37 1HB LEU 3 1HB LEU 3 2.606 -1.771 8.896 38 2HB LEU 3 2HB LEU 3 4.070 -2.714 8.897 39 HG LEU 3 HG LEU 3 3.985 -1.692 10.933 40 1HD1 LEU 3 1HD1 LEU 3 6.209 -1.781 9.806 41 2HD1 LEU 3 2HD1 LEU 3 6.018 -0.060 9.386 42 3HD1 LEU 3 3HD1 LEU 3 6.077 -0.564 11.086 43 1HD2 LEU 3 1HD2 LEU 3 3.657 0.547 11.478 44 2HD2 LEU 3 2HD2 LEU 3 3.934 1.111 9.824 45 3HD2 LEU 3 3HD2 LEU 3 2.444 0.220 10.227 46 H ARG 4 H ARG 4 5.294 -3.308 7.318 47 HA ARG 4 HA ARG 4 4.798 -4.265 4.657 48 1HB ARG 4 1HB ARG 4 5.682 -5.836 7.116 49 2HB ARG 4 2HB ARG 4 5.968 -6.309 5.458 50 1HG ARG 4 1HG ARG 4 7.224 -3.741 6.487 51 2HG ARG 4 2HG ARG 4 7.834 -5.303 6.996 52 1HD ARG 4 1HD ARG 4 7.992 -5.906 4.481 53 2HD ARG 4 2HD ARG 4 7.727 -4.195 4.178 54 HE ARG 4 HE ARG 4 9.913 -3.787 4.760 55 1HH1 ARG 4 1HH1 ARG 4 9.153 -6.898 6.146 56 2HH1 ARG 4 2HH1 ARG 4 10.782 -7.188 6.694 57 1HH2 ARG 4 1HH2 ARG 4 11.986 -4.151 5.569 58 2HH2 ARG 4 2HH2 ARG 4 12.317 -5.609 6.445 59 H ILE 5 H ILE 5 3.965 -6.438 4.157 60 HA ILE 5 HA ILE 5 1.320 -6.948 4.690 61 HB ILE 5 HB ILE 5 2.855 -8.045 2.983 62 1HG1 ILE 5 1HG1 ILE 5 0.478 -8.450 2.984 63 2HG1 ILE 5 2HG1 ILE 5 1.355 -9.917 2.596 64 1HG2 ILE 5 1HG2 ILE 5 3.698 -10.227 3.286 65 2HG2 ILE 5 2HG2 ILE 5 4.435 -9.187 4.513 66 3HG2 ILE 5 3HG2 ILE 5 3.144 -10.324 4.954 67 1HD1 ILE 5 1HD1 ILE 5 -0.408 -9.308 4.900 68 2HD1 ILE 5 2HD1 ILE 5 -0.125 -10.847 4.056 69 3HD1 ILE 5 3HD1 ILE 5 0.993 -10.330 5.284 70 H ARG 6 H ARG 6 3.983 -8.376 6.609 71 HA ARG 6 HA ARG 6 2.538 -9.914 8.443 72 1HB ARG 6 1HB ARG 6 5.098 -8.319 8.615 73 2HB ARG 6 2HB ARG 6 4.361 -8.819 10.122 74 1HG ARG 6 1HG ARG 6 4.281 -11.176 8.602 75 2HG ARG 6 2HG ARG 6 5.792 -10.441 8.100 76 1HD ARG 6 1HD ARG 6 5.482 -10.342 11.046 77 2HD ARG 6 2HD ARG 6 5.219 -11.959 10.435 78 HE ARG 6 HE ARG 6 7.436 -12.180 9.979 79 1HH1 ARG 6 1HH1 ARG 6 6.904 -8.768 10.476 80 2HH1 ARG 6 2HH1 ARG 6 8.603 -8.376 10.473 81 1HH2 ARG 6 1HH2 ARG 6 9.609 -11.665 10.014 82 2HH2 ARG 6 2HH2 ARG 6 10.106 -10.013 10.192 83 H THR 7 H THR 7 2.634 -6.382 8.391 84 HA THR 7 HA THR 7 1.214 -6.224 10.994 85 HB THR 7 HB THR 7 2.039 -3.968 9.172 86 HG1 THR 7 HG1 THR 7 3.723 -5.363 10.054 87 1HG2 THR 7 1HG2 THR 7 1.317 -4.068 12.145 88 2HG2 THR 7 2HG2 THR 7 1.898 -2.639 11.277 89 3HG2 THR 7 3HG2 THR 7 0.323 -3.327 10.869 90 H ILE 8 H ILE 8 0.580 -5.868 7.505 91 HA ILE 8 HA ILE 8 -2.124 -4.855 7.732 92 HB ILE 8 HB ILE 8 -0.930 -6.577 5.513 93 1HG1 ILE 8 1HG1 ILE 8 -0.906 -3.571 5.976 94 2HG1 ILE 8 2HG1 ILE 8 0.465 -4.643 5.751 95 1HG2 ILE 8 1HG2 ILE 8 -3.440 -6.458 5.511 96 2HG2 ILE 8 2HG2 ILE 8 -3.329 -4.689 5.457 97 3HG2 ILE 8 3HG2 ILE 8 -2.730 -5.692 4.116 98 1HD1 ILE 8 1HD1 ILE 8 -0.259 -5.079 3.403 99 2HD1 ILE 8 2HD1 ILE 8 -1.534 -3.855 3.598 100 3HD1 ILE 8 3HD1 ILE 8 0.148 -3.378 3.750 101 H ALA 9 H ALA 9 -0.753 -8.147 7.505 102 HA ALA 9 HA ALA 9 -3.250 -9.522 7.620 103 1HB ALA 9 1HB ALA 9 -1.995 -11.401 7.633 104 2HB ALA 9 2HB ALA 9 -0.759 -10.306 7.042 105 3HB ALA 9 3HB ALA 9 -0.761 -10.785 8.751 106 H ARG 10 H ARG 10 -0.905 -8.718 10.185 107 HA ARG 10 HA ARG 10 -2.115 -9.623 12.515 108 1HB ARG 10 1HB ARG 10 -0.390 -7.302 11.761 109 2HB ARG 10 2HB ARG 10 -1.059 -7.260 13.363 110 1HG ARG 10 1HG ARG 10 0.397 -9.754 12.425 111 2HG ARG 10 2HG ARG 10 1.291 -8.308 12.910 112 1HD ARG 10 1HD ARG 10 -0.054 -8.316 15.087 113 2HD ARG 10 2HD ARG 10 -0.667 -9.899 14.610 114 HE ARG 10 HE ARG 10 1.348 -10.838 15.216 115 1HH1 ARG 10 1HH1 ARG 10 1.923 -7.402 14.903 116 2HH1 ARG 10 2HH1 ARG 10 3.539 -7.483 15.551 117 1HH2 ARG 10 1HH2 ARG 10 3.432 -10.917 16.051 118 2HH2 ARG 10 2HH2 ARG 10 4.364 -9.457 16.184 119 H MET 11 H MET 11 -3.437 -7.054 10.553 120 HA MET 11 HA MET 11 -5.164 -5.744 12.390 121 1HB MET 11 1HB MET 11 -5.617 -6.674 9.529 122 2HB MET 11 2HB MET 11 -6.742 -5.651 10.405 123 1HG MET 11 1HG MET 11 -4.031 -4.545 10.501 124 2HG MET 11 2HG MET 11 -4.582 -4.788 8.848 125 1HE MET 11 1HE MET 11 -4.659 -2.126 11.698 126 2HE MET 11 2HE MET 11 -3.708 -2.216 10.195 127 3HE MET 11 3HE MET 11 -4.979 -0.983 10.374 128 H THR 12 H THR 12 -5.355 -9.027 11.103 129 HA THR 12 HA THR 12 -7.539 -9.744 12.948 130 HB THR 12 HB THR 12 -8.122 -9.776 9.955 131 HG1 THR 12 HG1 THR 12 -8.448 -7.864 11.812 132 1HG2 THR 12 1HG2 THR 12 -9.312 -11.614 11.111 133 2HG2 THR 12 2HG2 THR 12 -9.930 -10.470 12.313 134 3HG2 THR 12 3HG2 THR 12 -10.435 -10.352 10.614 135 H GLY 13 H GLY 13 -5.267 -10.697 10.392 136 1HA GLY 13 1HA GLY 13 -4.225 -12.662 9.991 137 2HA GLY 13 2HA GLY 13 -5.062 -13.414 11.345 138 H ILE 14 H ILE 14 -7.770 -12.649 10.097 139 HA ILE 14 HA ILE 14 -8.190 -15.019 8.620 140 HB ILE 14 HB ILE 14 -9.840 -13.444 9.854 141 1HG1 ILE 14 1HG1 ILE 14 -10.289 -15.678 8.916 142 2HG1 ILE 14 2HG1 ILE 14 -11.666 -14.603 9.055 143 1HG2 ILE 14 1HG2 ILE 14 -10.356 -12.363 7.055 144 2HG2 ILE 14 2HG2 ILE 14 -11.308 -12.066 8.512 145 3HG2 ILE 14 3HG2 ILE 14 -9.656 -11.445 8.407 146 1HD1 ILE 14 1HD1 ILE 14 -11.835 -14.301 6.698 147 2HD1 ILE 14 2HD1 ILE 14 -10.236 -15.014 6.400 148 3HD1 ILE 14 3HD1 ILE 14 -11.564 -16.032 6.963 149 H ARG 15 H ARG 15 -7.809 -11.723 7.389 150 HA ARG 15 HA ARG 15 -7.738 -12.427 4.607 151 1HB ARG 15 1HB ARG 15 -6.568 -10.218 4.313 152 2HB ARG 15 2HB ARG 15 -8.163 -10.175 5.041 153 1HG ARG 15 1HG ARG 15 -7.369 -9.625 7.174 154 2HG ARG 15 2HG ARG 15 -5.724 -10.145 6.842 155 1HD ARG 15 1HD ARG 15 -5.125 -8.174 5.875 156 2HD ARG 15 2HD ARG 15 -6.636 -8.003 4.993 157 HE ARG 15 HE ARG 15 -5.909 -6.771 7.478 158 1HH1 ARG 15 1HH1 ARG 15 -8.688 -8.016 5.779 159 2HH1 ARG 15 2HH1 ARG 15 -9.852 -7.055 6.649 160 1HH2 ARG 15 1HH2 ARG 15 -7.452 -5.420 8.541 161 2HH2 ARG 15 2HH2 ARG 15 -9.141 -5.670 8.237 162 H GLU 16 H GLU 16 -5.309 -13.076 7.024 163 HA GLU 16 HA GLU 16 -2.939 -12.636 5.554 164 1HB GLU 16 1HB GLU 16 -3.268 -13.186 8.009 165 2HB GLU 16 2HB GLU 16 -3.404 -14.876 7.555 166 1HG GLU 16 1HG GLU 16 -1.020 -13.494 6.430 167 2HG GLU 16 2HG GLU 16 -1.087 -13.458 8.184 168 H ALA 17 H ALA 17 -4.932 -15.551 5.726 169 HA ALA 17 HA ALA 17 -3.561 -17.249 3.946 170 1HB ALA 17 1HB ALA 17 -5.408 -17.916 5.454 171 2HB ALA 17 2HB ALA 17 -6.553 -16.947 4.502 172 3HB ALA 17 3HB ALA 17 -5.774 -18.370 3.778 173 H THR 18 H THR 18 -5.562 -14.479 3.282 174 HA THR 18 HA THR 18 -5.849 -14.998 0.388 175 HB THR 18 HB THR 18 -7.389 -13.628 2.403 176 HG1 THR 18 HG1 THR 18 -8.284 -14.966 0.946 177 1HG2 THR 18 1HG2 THR 18 -6.616 -11.941 0.052 178 2HG2 THR 18 2HG2 THR 18 -8.073 -11.663 1.016 179 3HG2 THR 18 3HG2 THR 18 -6.466 -11.483 1.754 180 H LEU 19 H LEU 19 -4.254 -12.670 2.591 181 HA LEU 19 HA LEU 19 -3.094 -10.976 0.609 182 1HB LEU 19 1HB LEU 19 -2.075 -11.720 3.362 183 2HB LEU 19 2HB LEU 19 -1.541 -10.315 2.426 184 HG LEU 19 HG LEU 19 -4.415 -10.615 3.257 185 1HD1 LEU 19 1HD1 LEU 19 -2.909 -8.883 5.078 186 2HD1 LEU 19 2HD1 LEU 19 -4.059 -10.193 5.396 187 3HD1 LEU 19 3HD1 LEU 19 -2.370 -10.550 5.155 188 1HD2 LEU 19 1HD2 LEU 19 -3.205 -8.720 1.668 189 2HD2 LEU 19 2HD2 LEU 19 -4.776 -8.641 2.480 190 3HD2 LEU 19 3HD2 LEU 19 -3.351 -7.908 3.230 191 H ARG 20 H ARG 20 -1.674 -13.753 2.388 192 HA ARG 20 HA ARG 20 0.801 -13.855 0.841 193 1HB ARG 20 1HB ARG 20 -0.641 -15.886 2.579 194 2HB ARG 20 2HB ARG 20 0.956 -16.166 1.863 195 1HG ARG 20 1HG ARG 20 2.028 -14.558 3.217 196 2HG ARG 20 2HG ARG 20 0.525 -13.696 3.542 197 1HD ARG 20 1HD ARG 20 0.648 -14.658 5.498 198 2HD ARG 20 2HD ARG 20 -0.183 -15.998 4.717 199 HE ARG 20 HE ARG 20 2.271 -16.005 6.051 200 1HH1 ARG 20 1HH1 ARG 20 0.759 -17.630 3.402 201 2HH1 ARG 20 2HH1 ARG 20 1.842 -19.002 3.440 202 1HH2 ARG 20 1HH2 ARG 20 3.734 -17.679 6.034 203 2HH2 ARG 20 2HH2 ARG 20 3.508 -19.018 4.947 204 H ALA 21 H ALA 21 -2.424 -15.219 0.357 205 HA ALA 21 HA ALA 21 -1.689 -16.898 -1.892 206 1HB ALA 21 1HB ALA 21 -4.240 -15.803 -0.785 207 2HB ALA 21 2HB ALA 21 -4.228 -16.216 -2.498 208 3HB ALA 21 3HB ALA 21 -3.825 -17.443 -1.274 209 H TRP 22 H TRP 22 -3.113 -13.551 -1.776 210 HA TRP 22 HA TRP 22 -2.842 -12.880 -4.449 211 1HB TRP 22 1HB TRP 22 -2.398 -11.048 -2.089 212 2HB TRP 22 2HB TRP 22 -2.681 -10.544 -3.743 213 HD1 TRP 22 HD1 TRP 22 -5.102 -12.952 -3.957 214 HE1 TRP 22 HE1 TRP 22 -7.403 -12.253 -3.068 215 HE3 TRP 22 HE3 TRP 22 -3.673 -9.156 -0.864 216 HZ2 TRP 22 HZ2 TRP 22 -8.501 -10.201 -1.444 217 HZ3 TRP 22 HZ3 TRP 22 -5.372 -7.864 0.384 218 HH2 TRP 22 HH2 TRP 22 -7.794 -8.348 0.110 219 H GLU 23 H GLU 23 -0.257 -12.604 -1.993 220 HA GLU 23 HA GLU 23 1.799 -11.540 -3.455 221 1HB GLU 23 1HB GLU 23 1.653 -12.568 -1.055 222 2HB GLU 23 2HB GLU 23 2.279 -14.036 -1.797 223 1HG GLU 23 1HG GLU 23 3.647 -11.391 -2.256 224 2HG GLU 23 2HG GLU 23 3.843 -12.174 -0.703 225 H ARG 24 H ARG 24 0.741 -14.936 -3.750 226 HA ARG 24 HA ARG 24 2.558 -15.322 -6.089 227 1HB ARG 24 1HB ARG 24 2.346 -16.909 -3.965 228 2HB ARG 24 2HB ARG 24 0.943 -17.545 -4.828 229 1HG ARG 24 1HG ARG 24 2.385 -18.051 -6.791 230 2HG ARG 24 2HG ARG 24 3.781 -17.346 -5.963 231 1HD ARG 24 1HD ARG 24 2.192 -19.729 -4.928 232 2HD ARG 24 2HD ARG 24 3.658 -19.861 -5.916 233 HE ARG 24 HE ARG 24 4.468 -18.245 -3.857 234 1HH1 ARG 24 1HH1 ARG 24 3.003 -21.414 -3.866 235 2HH1 ARG 24 2HH1 ARG 24 3.807 -21.930 -2.408 236 1HH2 ARG 24 1HH2 ARG 24 5.507 -18.926 -2.000 237 2HH2 ARG 24 2HH2 ARG 24 5.227 -20.525 -1.383 238 H ARG 25 H ARG 25 -0.709 -14.747 -5.392 239 HA ARG 25 HA ARG 25 -1.794 -16.033 -7.812 240 1HB ARG 25 1HB ARG 25 -2.736 -16.014 -5.382 241 2HB ARG 25 2HB ARG 25 -3.359 -14.413 -5.792 242 1HG ARG 25 1HG ARG 25 -4.679 -15.452 -7.611 243 2HG ARG 25 2HG ARG 25 -3.974 -17.019 -7.233 244 1HD ARG 25 1HD ARG 25 -5.199 -15.576 -4.898 245 2HD ARG 25 2HD ARG 25 -6.339 -16.079 -6.135 246 HE ARG 25 HE ARG 25 -4.889 -17.790 -4.280 247 1HH1 ARG 25 1HH1 ARG 25 -6.523 -17.745 -7.351 248 2HH1 ARG 25 2HH1 ARG 25 -6.699 -19.477 -7.449 249 1HH2 ARG 25 1HH2 ARG 25 -5.105 -20.040 -4.403 250 2HH2 ARG 25 2HH2 ARG 25 -5.900 -20.743 -5.779 251 H TYR 26 H TYR 26 -1.220 -12.730 -6.727 252 HA TYR 26 HA TYR 26 -1.686 -11.680 -9.456 253 1HB TYR 26 1HB TYR 26 -3.109 -10.271 -7.164 254 2HB TYR 26 2HB TYR 26 -3.259 -9.985 -8.886 255 HD1 TYR 26 HD1 TYR 26 -4.339 -11.921 -6.019 256 HD2 TYR 26 HD2 TYR 26 -4.512 -11.670 -10.314 257 HE1 TYR 26 HE1 TYR 26 -6.156 -13.605 -6.055 258 HE2 TYR 26 HE2 TYR 26 -6.388 -13.298 -10.340 259 HH TYR 26 HH TYR 26 -8.003 -14.233 -8.999 260 H GLY 27 H GLY 27 -1.066 -10.782 -6.093 261 1HA GLY 27 1HA GLY 27 1.077 -9.918 -5.449 262 2HA GLY 27 2HA GLY 27 1.024 -8.782 -6.804 263 H PHE 28 H PHE 28 -2.005 -8.529 -6.044 264 HA PHE 28 HA PHE 28 -1.984 -6.020 -5.092 265 1HB PHE 28 1HB PHE 28 -3.957 -6.908 -6.062 266 2HB PHE 28 2HB PHE 28 -4.093 -8.137 -4.810 267 HD1 PHE 28 HD1 PHE 28 -4.586 -7.411 -2.430 268 HD2 PHE 28 HD2 PHE 28 -5.367 -4.906 -5.826 269 HE1 PHE 28 HE1 PHE 28 -6.114 -6.052 -1.047 270 HE2 PHE 28 HE2 PHE 28 -7.003 -3.603 -4.403 271 HZ PHE 28 HZ PHE 28 -7.286 -4.117 -2.056 272 HA PRO 29 HA PRO 29 -3.023 -4.406 -3.971 273 1HB PRO 29 1HB PRO 29 -2.456 -2.416 -2.321 274 2HB PRO 29 2HB PRO 29 -3.798 -3.525 -1.964 275 1HG PRO 29 1HG PRO 29 -0.971 -3.678 -0.884 276 2HG PRO 29 2HG PRO 29 -2.480 -3.688 0.058 277 1HD PRO 29 1HD PRO 29 -1.195 -5.999 -0.673 278 2HD PRO 29 2HD PRO 29 -2.977 -5.917 -0.613 279 H ARG 30 H ARG 30 -1.525 -2.266 -4.515 280 HA ARG 30 HA ARG 30 0.742 -3.397 -5.884 281 1HB ARG 30 1HB ARG 30 1.163 -1.118 -6.647 282 2HB ARG 30 2HB ARG 30 -0.536 -1.563 -6.801 283 1HG ARG 30 1HG ARG 30 -0.907 -0.310 -4.556 284 2HG ARG 30 2HG ARG 30 0.722 0.324 -4.779 285 1HD ARG 30 1HD ARG 30 -0.611 0.785 -7.245 286 2HD ARG 30 2HD ARG 30 -1.812 1.112 -5.997 287 HE ARG 30 HE ARG 30 -0.616 2.975 -5.290 288 1HH1 ARG 30 1HH1 ARG 30 1.559 0.987 -7.149 289 2HH1 ARG 30 2HH1 ARG 30 2.809 2.197 -7.255 290 1HH2 ARG 30 1HH2 ARG 30 0.943 4.539 -5.476 291 2HH2 ARG 30 2HH2 ARG 30 2.435 4.229 -6.331 292 HA PRO 31 HA PRO 31 3.401 -2.843 -2.250 293 1HB PRO 31 1HB PRO 31 5.592 -4.298 -3.021 294 2HB PRO 31 2HB PRO 31 4.099 -5.005 -2.339 295 1HG PRO 31 1HG PRO 31 5.006 -4.968 -5.193 296 2HG PRO 31 2HG PRO 31 4.046 -6.198 -4.317 297 1HD PRO 31 1HD PRO 31 3.047 -4.168 -6.034 298 2HD PRO 31 2HD PRO 31 2.090 -5.181 -4.923 299 H LEU 32 H LEU 32 5.078 -1.447 -1.816 300 HA LEU 32 HA LEU 32 5.587 0.500 -3.923 301 1HB LEU 32 1HB LEU 32 7.176 0.623 -1.383 302 2HB LEU 32 2HB LEU 32 6.509 1.903 -2.365 303 HG LEU 32 HG LEU 32 5.056 0.159 -0.353 304 1HD1 LEU 32 1HD1 LEU 32 4.615 2.266 0.774 305 2HD1 LEU 32 2HD1 LEU 32 6.353 2.039 0.546 306 3HD1 LEU 32 3HD1 LEU 32 5.458 3.161 -0.511 307 1HD2 LEU 32 1HD2 LEU 32 3.340 0.360 -1.925 308 2HD2 LEU 32 2HD2 LEU 32 3.079 1.776 -0.942 309 3HD2 LEU 32 3HD2 LEU 32 3.894 1.942 -2.507 310 H ARG 33 H ARG 33 7.686 1.122 -4.808 311 HA ARG 33 HA ARG 33 9.248 -1.270 -5.376 312 1HB ARG 33 1HB ARG 33 8.585 0.544 -7.086 313 2HB ARG 33 2HB ARG 33 9.918 1.495 -6.427 314 1HG ARG 33 1HG ARG 33 11.040 -1.068 -6.752 315 2HG ARG 33 2HG ARG 33 9.931 -0.967 -8.111 316 1HD ARG 33 1HD ARG 33 11.141 0.834 -9.092 317 2HD ARG 33 2HD ARG 33 11.873 1.287 -7.547 318 HE ARG 33 HE ARG 33 13.553 -0.200 -7.845 319 1HH1 ARG 33 1HH1 ARG 33 11.089 -1.181 -10.122 320 2HH1 ARG 33 2HH1 ARG 33 12.040 -2.497 -10.760 321 1HH2 ARG 33 1HH2 ARG 33 14.736 -1.899 -8.661 322 2HH2 ARG 33 2HH2 ARG 33 14.084 -2.876 -9.937 323 H SER 34 H SER 34 10.148 -1.769 -3.344 324 HA SER 34 HA SER 34 12.713 -0.337 -2.852 325 1HB SER 34 1HB SER 34 12.437 -0.186 -0.538 326 2HB SER 34 2HB SER 34 10.886 0.343 -1.181 327 HG SER 34 HG SER 34 11.394 -2.350 -0.212 328 H GLU 35 H GLU 35 13.867 -1.684 -0.937 329 HA GLU 35 HA GLU 35 14.343 -4.409 -1.768 330 1HB GLU 35 1HB GLU 35 15.593 -2.493 -0.048 331 2HB GLU 35 2HB GLU 35 15.031 -3.773 1.017 332 1HG GLU 35 1HG GLU 35 16.104 -5.357 -0.849 333 2HG GLU 35 2HG GLU 35 17.020 -3.899 -1.250 334 H GLY 36 H GLY 36 14.214 -6.116 -0.016 335 1HA GLY 36 1HA GLY 36 12.918 -7.244 1.687 336 2HA GLY 36 2HA GLY 36 11.512 -6.260 1.263 337 H ASN 37 H ASN 37 13.072 -9.230 0.750 338 HA ASN 37 HA ASN 37 11.602 -9.839 -1.767 339 1HB ASN 37 1HB ASN 37 13.949 -11.070 -0.312 340 2HB ASN 37 2HB ASN 37 12.939 -12.096 -1.337 341 1HD2 ASN 37 1HD2 ASN 37 14.599 -12.471 -2.911 342 2HD2 ASN 37 2HD2 ASN 37 15.056 -11.118 -3.952 343 H ASN 38 H ASN 38 12.111 -11.625 1.312 344 HA ASN 38 HA ASN 38 9.780 -13.262 1.168 345 1HB ASN 38 1HB ASN 38 11.753 -13.729 2.567 346 2HB ASN 38 2HB ASN 38 11.469 -12.269 3.518 347 1HD2 ASN 38 1HD2 ASN 38 9.816 -12.301 5.168 348 2HD2 ASN 38 2HD2 ASN 38 9.022 -13.849 5.523 349 H TYR 39 H TYR 39 9.971 -9.928 1.714 350 HA TYR 39 HA TYR 39 7.323 -9.749 3.037 351 1HB TYR 39 1HB TYR 39 9.285 -7.614 3.660 352 2HB TYR 39 2HB TYR 39 8.098 -8.379 4.697 353 HD1 TYR 39 HD1 TYR 39 11.517 -8.587 3.273 354 HD2 TYR 39 HD2 TYR 39 8.801 -10.158 6.232 355 HE1 TYR 39 HE1 TYR 39 13.420 -9.730 4.393 356 HE2 TYR 39 HE2 TYR 39 10.733 -11.288 7.372 357 HH TYR 39 HH TYR 39 14.059 -11.104 6.145 358 H ARG 40 H ARG 40 6.186 -7.824 2.429 359 HA ARG 40 HA ARG 40 7.373 -6.216 0.201 360 1HB ARG 40 1HB ARG 40 4.589 -7.369 0.545 361 2HB ARG 40 2HB ARG 40 4.825 -5.881 -0.356 362 1HG ARG 40 1HG ARG 40 5.544 -6.928 -2.168 363 2HG ARG 40 2HG ARG 40 6.803 -7.793 -1.298 364 1HD ARG 40 1HD ARG 40 5.515 -9.690 -0.997 365 2HD ARG 40 2HD ARG 40 3.992 -8.801 -0.978 366 HE ARG 40 HE ARG 40 3.791 -8.976 -3.230 367 1HH1 ARG 40 1HH1 ARG 40 7.095 -9.942 -2.498 368 2HH1 ARG 40 2HH1 ARG 40 7.145 -10.940 -3.912 369 1HH2 ARG 40 1HH2 ARG 40 4.076 -10.108 -5.119 370 2HH2 ARG 40 2HH2 ARG 40 5.591 -10.880 -5.412 371 H VAL 41 H VAL 41 6.895 -4.111 0.150 372 HA VAL 41 HA VAL 41 6.125 -2.790 2.695 373 HB VAL 41 HB VAL 41 7.036 -0.750 1.487 374 1HG1 VAL 41 1HG1 VAL 41 8.972 -3.046 2.014 375 2HG1 VAL 41 2HG1 VAL 41 9.379 -1.322 1.974 376 3HG1 VAL 41 3HG1 VAL 41 8.297 -1.934 3.236 377 1HG2 VAL 41 1HG2 VAL 41 8.421 -2.736 -0.370 378 2HG2 VAL 41 2HG2 VAL 41 6.989 -1.820 -0.851 379 3HG2 VAL 41 3HG2 VAL 41 8.458 -0.969 -0.404 380 H TYR 42 H TYR 42 4.415 -1.408 2.794 381 HA TYR 42 HA TYR 42 2.784 -0.909 0.395 382 1HB TYR 42 1HB TYR 42 1.867 -2.254 2.957 383 2HB TYR 42 2HB TYR 42 0.765 -1.628 1.738 384 HD1 TYR 42 HD1 TYR 42 2.086 -4.610 2.887 385 HD2 TYR 42 HD2 TYR 42 1.478 -2.453 -0.793 386 HE1 TYR 42 HE1 TYR 42 1.883 -6.772 1.622 387 HE2 TYR 42 HE2 TYR 42 1.443 -4.601 -2.030 388 HH TYR 42 HH TYR 42 1.136 -6.903 -1.826 389 H SER 43 H SER 43 1.064 0.566 0.885 390 HA SER 43 HA SER 43 1.658 2.658 2.934 391 1HB SER 43 1HB SER 43 2.215 3.183 0.569 392 2HB SER 43 2HB SER 43 0.505 2.976 0.153 393 HG SER 43 HG SER 43 0.828 5.106 0.528 394 H ARG 44 H ARG 44 -0.194 4.088 3.311 395 HA ARG 44 HA ARG 44 -2.309 2.629 4.560 396 1HB ARG 44 1HB ARG 44 -1.320 5.402 4.434 397 2HB ARG 44 2HB ARG 44 -3.066 5.362 4.550 398 1HG ARG 44 1HG ARG 44 -1.367 3.667 6.428 399 2HG ARG 44 2HG ARG 44 -1.563 5.388 6.727 400 1HD ARG 44 1HD ARG 44 -3.878 3.436 6.422 401 2HD ARG 44 2HD ARG 44 -3.146 3.909 7.970 402 HE ARG 44 HE ARG 44 -3.883 6.222 6.427 403 1HH1 ARG 44 1HH1 ARG 44 -5.346 3.815 8.479 404 2HH1 ARG 44 2HH1 ARG 44 -6.673 4.847 8.949 405 1HH2 ARG 44 1HH2 ARG 44 -5.597 7.517 7.006 406 2HH2 ARG 44 2HH2 ARG 44 -6.801 6.920 8.104 407 H GLU 45 H GLU 45 -2.200 4.411 1.585 408 HA GLU 45 HA GLU 45 -4.917 4.227 0.701 409 1HB GLU 45 1HB GLU 45 -3.890 4.456 -1.573 410 2HB GLU 45 2HB GLU 45 -3.393 5.697 -0.423 411 1HG GLU 45 1HG GLU 45 -1.243 4.717 -0.101 412 2HG GLU 45 2HG GLU 45 -1.662 3.249 -0.963 413 H GLU 46 H GLU 46 -2.235 1.876 0.566 414 HA GLU 46 HA GLU 46 -3.726 -0.033 -1.072 415 1HB GLU 46 1HB GLU 46 -1.100 -0.078 0.442 416 2HB GLU 46 2HB GLU 46 -1.726 -1.493 -0.326 417 1HG GLU 46 1HG GLU 46 -0.974 -0.878 -2.338 418 2HG GLU 46 2HG GLU 46 -1.833 0.658 -2.274 419 H VAL 47 H VAL 47 -2.811 0.237 2.382 420 HA VAL 47 HA VAL 47 -4.205 -2.095 3.306 421 HB VAL 47 HB VAL 47 -3.446 0.515 4.641 422 1HG1 VAL 47 1HG1 VAL 47 -4.042 -0.571 6.830 423 2HG1 VAL 47 2HG1 VAL 47 -5.453 -0.141 5.861 424 3HG1 VAL 47 3HG1 VAL 47 -4.912 -1.833 5.930 425 1HG2 VAL 47 1HG2 VAL 47 -2.612 -2.365 5.132 426 2HG2 VAL 47 2HG2 VAL 47 -1.713 -1.252 4.076 427 3HG2 VAL 47 3HG2 VAL 47 -1.853 -0.909 5.809 428 H GLU 48 H GLU 48 -5.465 1.251 2.782 429 HA GLU 48 HA GLU 48 -8.159 0.764 3.549 430 1HB GLU 48 1HB GLU 48 -7.117 2.974 2.977 431 2HB GLU 48 2HB GLU 48 -7.107 2.496 1.285 432 1HG GLU 48 1HG GLU 48 -9.036 3.703 1.293 433 2HG GLU 48 2HG GLU 48 -9.726 2.136 1.679 434 H ALA 49 H ALA 49 -6.652 0.359 0.276 435 HA ALA 49 HA ALA 49 -8.929 -0.734 -0.996 436 1HB ALA 49 1HB ALA 49 -7.417 -1.536 -2.691 437 2HB ALA 49 2HB ALA 49 -6.833 0.042 -2.135 438 3HB ALA 49 3HB ALA 49 -6.026 -1.446 -1.593 439 H VAL 50 H VAL 50 -6.273 -2.490 0.700 440 HA VAL 50 HA VAL 50 -7.337 -5.132 0.528 441 HB VAL 50 HB VAL 50 -5.822 -3.870 2.844 442 1HG1 VAL 50 1HG1 VAL 50 -5.254 -6.054 3.619 443 2HG1 VAL 50 2HG1 VAL 50 -7.005 -6.065 3.453 444 3HG1 VAL 50 3HG1 VAL 50 -6.021 -6.830 2.216 445 1HG2 VAL 50 1HG2 VAL 50 -3.820 -4.595 1.894 446 2HG2 VAL 50 2HG2 VAL 50 -4.618 -5.736 0.794 447 3HG2 VAL 50 3HG2 VAL 50 -4.708 -4.011 0.478 448 H ARG 51 H ARG 51 -7.977 -2.630 3.027 449 HA ARG 51 HA ARG 51 -9.676 -4.194 4.639 450 1HB ARG 51 1HB ARG 51 -8.592 -1.937 5.103 451 2HB ARG 51 2HB ARG 51 -9.916 -1.177 4.226 452 1HG ARG 51 1HG ARG 51 -10.519 -3.104 6.491 453 2HG ARG 51 2HG ARG 51 -9.890 -1.501 6.862 454 1HD ARG 51 1HD ARG 51 -11.768 -0.507 5.484 455 2HD ARG 51 2HD ARG 51 -12.499 -2.115 5.416 456 HE ARG 51 HE ARG 51 -12.368 -0.274 7.671 457 1HH1 ARG 51 1HH1 ARG 51 -12.831 -3.645 6.905 458 2HH1 ARG 51 2HH1 ARG 51 -13.429 -4.054 8.499 459 1HH2 ARG 51 1HH2 ARG 51 -13.114 -0.816 9.710 460 2HH2 ARG 51 2HH2 ARG 51 -13.575 -2.450 10.061 461 H ARG 52 H ARG 52 -10.527 -2.230 1.803 462 HA ARG 52 HA ARG 52 -13.349 -3.042 1.788 463 1HB ARG 52 1HB ARG 52 -11.495 -1.843 -0.302 464 2HB ARG 52 2HB ARG 52 -13.025 -2.588 -0.780 465 1HG ARG 52 1HG ARG 52 -14.154 -1.121 1.008 466 2HG ARG 52 2HG ARG 52 -12.628 -0.205 1.048 467 1HD ARG 52 1HD ARG 52 -12.832 0.141 -1.421 468 2HD ARG 52 2HD ARG 52 -14.361 -0.767 -1.408 469 HE ARG 52 HE ARG 52 -14.625 1.279 0.492 470 1HH1 ARG 52 1HH1 ARG 52 -14.222 1.118 -2.981 471 2HH1 ARG 52 2HH1 ARG 52 -15.003 2.641 -3.270 472 1HH2 ARG 52 1HH2 ARG 52 -15.633 3.236 0.107 473 2HH2 ARG 52 2HH2 ARG 52 -15.803 3.811 -1.523 474 H VAL 53 H VAL 53 -10.630 -4.178 -0.257 475 HA VAL 53 HA VAL 53 -12.054 -6.223 -1.528 476 HB VAL 53 HB VAL 53 -9.081 -6.074 -0.915 477 1HG1 VAL 53 1HG1 VAL 53 -9.634 -8.363 -1.373 478 2HG1 VAL 53 2HG1 VAL 53 -10.582 -7.943 -2.792 479 3HG1 VAL 53 3HG1 VAL 53 -8.820 -7.695 -2.784 480 1HG2 VAL 53 1HG2 VAL 53 -9.237 -5.577 -3.543 481 2HG2 VAL 53 2HG2 VAL 53 -10.881 -5.065 -3.120 482 3HG2 VAL 53 3HG2 VAL 53 -9.513 -4.283 -2.380 483 H ALA 54 H ALA 54 -10.004 -6.741 1.407 484 HA ALA 54 HA ALA 54 -10.658 -9.450 1.847 485 1HB ALA 54 1HB ALA 54 -8.827 -8.267 2.960 486 2HB ALA 54 2HB ALA 54 -9.994 -7.234 3.821 487 3HB ALA 54 3HB ALA 54 -9.936 -8.980 4.158 488 H ARG 55 H ARG 55 -12.499 -6.528 2.911 489 HA ARG 55 HA ARG 55 -14.464 -8.062 4.429 490 1HB ARG 55 1HB ARG 55 -13.969 -5.577 4.696 491 2HB ARG 55 2HB ARG 55 -14.787 -5.316 3.155 492 1HG ARG 55 1HG ARG 55 -16.667 -6.834 4.607 493 2HG ARG 55 2HG ARG 55 -15.862 -5.900 5.858 494 1HD ARG 55 1HD ARG 55 -17.622 -4.516 5.235 495 2HD ARG 55 2HD ARG 55 -16.260 -3.846 4.326 496 HE ARG 55 HE ARG 55 -17.936 -5.850 2.892 497 1HH1 ARG 55 1HH1 ARG 55 -17.473 -2.427 3.451 498 2HH1 ARG 55 2HH1 ARG 55 -18.499 -1.988 2.102 499 1HH2 ARG 55 1HH2 ARG 55 -19.242 -5.257 1.243 500 2HH2 ARG 55 2HH2 ARG 55 -19.501 -3.570 0.869 501 H LEU 56 H LEU 56 -14.268 -6.844 1.094 502 HA LEU 56 HA LEU 56 -16.810 -7.789 0.196 503 1HB LEU 56 1HB LEU 56 -14.459 -6.492 -0.902 504 2HB LEU 56 2HB LEU 56 -14.768 -7.885 -1.852 505 HG LEU 56 HG LEU 56 -15.856 -6.276 -3.017 506 1HD1 LEU 56 1HD1 LEU 56 -18.223 -6.998 -1.263 507 2HD1 LEU 56 2HD1 LEU 56 -18.189 -6.637 -2.993 508 3HD1 LEU 56 3HD1 LEU 56 -17.486 -8.153 -2.395 509 1HD2 LEU 56 1HD2 LEU 56 -15.535 -4.464 -1.416 510 2HD2 LEU 56 2HD2 LEU 56 -17.168 -4.435 -2.101 511 3HD2 LEU 56 3HD2 LEU 56 -16.911 -5.051 -0.449 512 H ILE 57 H ILE 57 -13.614 -9.393 0.343 513 HA ILE 57 HA ILE 57 -14.387 -11.918 -0.754 514 HB ILE 57 HB ILE 57 -12.209 -11.089 1.163 515 1HG1 ILE 57 1HG1 ILE 57 -10.846 -12.334 -0.587 516 2HG1 ILE 57 2HG1 ILE 57 -12.312 -12.398 -1.582 517 1HG2 ILE 57 1HG2 ILE 57 -12.929 -13.997 0.632 518 2HG2 ILE 57 2HG2 ILE 57 -11.350 -13.454 1.218 519 3HG2 ILE 57 3HG2 ILE 57 -12.779 -13.177 2.200 520 1HD1 ILE 57 1HD1 ILE 57 -10.953 -9.926 -0.501 521 2HD1 ILE 57 2HD1 ILE 57 -10.741 -10.533 -2.128 522 3HD1 ILE 57 3HD1 ILE 57 -12.338 -9.943 -1.652 523 H GLN 58 H GLN 58 -14.805 -10.659 2.573 524 HA GLN 58 HA GLN 58 -15.867 -13.073 3.643 525 1HB GLN 58 1HB GLN 58 -15.554 -10.323 4.506 526 2HB GLN 58 2HB GLN 58 -17.196 -10.825 4.865 527 1HG GLN 58 1HG GLN 58 -14.581 -12.018 5.841 528 2HG GLN 58 2HG GLN 58 -15.852 -11.240 6.782 529 1HE2 GLN 58 1HE2 GLN 58 -14.628 -14.313 5.739 530 2HE2 GLN 58 2HE2 GLN 58 -16.088 -15.186 6.229 531 H GLU 59 H GLU 59 -17.346 -10.934 1.306 532 HA GLU 59 HA GLU 59 -20.067 -11.860 1.903 533 1HB GLU 59 1HB GLU 59 -19.169 -10.286 -0.536 534 2HB GLU 59 2HB GLU 59 -20.788 -10.447 0.155 535 1HG GLU 59 1HG GLU 59 -19.759 -9.394 2.317 536 2HG GLU 59 2HG GLU 59 -18.381 -8.989 1.293 537 H GLU 60 H GLU 60 -17.579 -12.587 -0.498 538 HA GLU 60 HA GLU 60 -18.901 -15.185 -1.008 539 1HB GLU 60 1HB GLU 60 -18.914 -13.027 -3.065 540 2HB GLU 60 2HB GLU 60 -18.195 -14.521 -3.624 541 1HG GLU 60 1HG GLU 60 -20.385 -15.614 -2.506 542 2HG GLU 60 2HG GLU 60 -21.030 -14.000 -2.816 543 H GLY 61 H GLY 61 -16.055 -13.179 -1.612 544 1HA GLY 61 1HA GLY 61 -13.835 -14.011 -1.344 545 2HA GLY 61 2HA GLY 61 -14.365 -15.634 -1.737 546 H LEU 62 H LEU 62 -15.850 -14.721 -4.159 547 HA LEU 62 HA LEU 62 -13.987 -14.734 -6.273 548 1HB LEU 62 1HB LEU 62 -16.170 -15.136 -6.898 549 2HB LEU 62 2HB LEU 62 -16.827 -13.874 -5.869 550 HG LEU 62 HG LEU 62 -16.094 -12.133 -7.463 551 1HD1 LEU 62 1HD1 LEU 62 -15.649 -13.128 -9.880 552 2HD1 LEU 62 2HD1 LEU 62 -14.300 -12.907 -8.786 553 3HD1 LEU 62 3HD1 LEU 62 -15.006 -14.520 -8.990 554 1HD2 LEU 62 1HD2 LEU 62 -17.838 -12.493 -9.022 555 2HD2 LEU 62 2HD2 LEU 62 -17.750 -14.261 -8.839 556 3HD2 LEU 62 3HD2 LEU 62 -18.356 -13.252 -7.508 557 H SER 63 H SER 63 -15.170 -11.976 -4.414 558 HA SER 63 HA SER 63 -13.905 -9.868 -5.821 559 1HB SER 63 1HB SER 63 -14.842 -10.225 -2.997 560 2HB SER 63 2HB SER 63 -13.759 -8.878 -3.386 561 HG SER 63 HG SER 63 -16.278 -9.424 -4.569 562 H VAL 64 H VAL 64 -12.204 -12.446 -4.231 563 HA VAL 64 HA VAL 64 -9.672 -11.077 -3.946 564 HB VAL 64 HB VAL 64 -10.449 -13.937 -4.626 565 1HG1 VAL 64 1HG1 VAL 64 -7.757 -12.650 -4.917 566 2HG1 VAL 64 2HG1 VAL 64 -7.892 -14.366 -4.423 567 3HG1 VAL 64 3HG1 VAL 64 -8.574 -13.833 -5.943 568 1HG2 VAL 64 1HG2 VAL 64 -10.536 -13.690 -2.330 569 2HG2 VAL 64 2HG2 VAL 64 -8.878 -14.208 -2.500 570 3HG2 VAL 64 3HG2 VAL 64 -9.223 -12.489 -2.260 571 H SER 65 H SER 65 -10.842 -12.905 -6.863 572 HA SER 65 HA SER 65 -8.816 -11.496 -8.420 573 1HB SER 65 1HB SER 65 -10.265 -13.829 -8.815 574 2HB SER 65 2HB SER 65 -11.024 -12.716 -9.974 575 HG SER 65 HG SER 65 -8.949 -12.264 -10.765 576 H GLU 66 H GLU 66 -12.290 -11.105 -7.836 577 HA GLU 66 HA GLU 66 -12.621 -9.193 -9.927 578 1HB GLU 66 1HB GLU 66 -14.322 -10.636 -8.105 579 2HB GLU 66 2HB GLU 66 -14.739 -8.940 -7.997 580 1HG GLU 66 1HG GLU 66 -16.086 -10.022 -9.677 581 2HG GLU 66 2HG GLU 66 -15.057 -8.798 -10.415 582 H ALA 67 H ALA 67 -12.412 -8.537 -6.302 583 HA ALA 67 HA ALA 67 -12.702 -5.720 -6.863 584 1HB ALA 67 1HB ALA 67 -13.359 -6.883 -4.727 585 2HB ALA 67 2HB ALA 67 -11.626 -6.894 -4.333 586 3HB ALA 67 3HB ALA 67 -12.481 -5.357 -4.592 587 H ILE 68 H ILE 68 -9.969 -7.967 -6.748 588 HA ILE 68 HA ILE 68 -7.876 -5.982 -6.926 589 HB ILE 68 HB ILE 68 -7.963 -8.876 -7.837 590 1HG1 ILE 68 1HG1 ILE 68 -6.537 -7.437 -5.575 591 2HG1 ILE 68 2HG1 ILE 68 -8.021 -8.309 -5.357 592 1HG2 ILE 68 1HG2 ILE 68 -5.309 -8.335 -7.859 593 2HG2 ILE 68 2HG2 ILE 68 -6.322 -8.146 -9.280 594 3HG2 ILE 68 3HG2 ILE 68 -5.889 -6.733 -8.287 595 1HD1 ILE 68 1HD1 ILE 68 -6.239 -9.683 -4.589 596 2HD1 ILE 68 2HD1 ILE 68 -6.847 -10.428 -6.080 597 3HD1 ILE 68 3HD1 ILE 68 -5.328 -9.527 -6.085 598 H ALA 69 H ALA 69 -9.478 -7.911 -9.593 599 HA ALA 69 HA ALA 69 -8.318 -6.371 -11.660 600 1HB ALA 69 1HB ALA 69 -9.344 -8.570 -12.005 601 2HB ALA 69 2HB ALA 69 -10.951 -7.898 -11.644 602 3HB ALA 69 3HB ALA 69 -10.057 -7.358 -13.086 603 H GLN 70 H GLN 70 -11.335 -5.776 -9.834 604 HA GLN 70 HA GLN 70 -12.210 -3.442 -11.201 605 1HB GLN 70 1HB GLN 70 -12.508 -4.338 -8.343 606 2HB GLN 70 2HB GLN 70 -13.238 -2.859 -8.948 607 1HG GLN 70 1HG GLN 70 -14.667 -3.994 -10.460 608 2HG GLN 70 2HG GLN 70 -13.772 -5.503 -10.346 609 1HE2 GLN 70 1HE2 GLN 70 -15.333 -6.961 -9.476 610 2HE2 GLN 70 2HE2 GLN 70 -16.173 -6.548 -7.971 611 H VAL 71 H VAL 71 -10.127 -3.520 -8.129 612 HA VAL 71 HA VAL 71 -9.664 -0.729 -8.359 613 HB VAL 71 HB VAL 71 -9.195 -2.162 -6.328 614 1HG1 VAL 71 1HG1 VAL 71 -7.683 -3.847 -6.913 615 2HG1 VAL 71 2HG1 VAL 71 -6.637 -2.785 -7.874 616 3HG1 VAL 71 3HG1 VAL 71 -6.619 -2.636 -6.154 617 1HG2 VAL 71 1HG2 VAL 71 -8.599 0.309 -6.675 618 2HG2 VAL 71 2HG2 VAL 71 -7.751 -0.574 -5.398 619 3HG2 VAL 71 3HG2 VAL 71 -6.935 -0.246 -6.942 620 H LYS 72 H LYS 72 -8.009 -3.361 -9.999 621 HA LYS 72 HA LYS 72 -5.863 -1.668 -11.050 622 1HB LYS 72 1HB LYS 72 -6.839 -4.434 -11.893 623 2HB LYS 72 2HB LYS 72 -5.436 -3.602 -12.562 624 1HG LYS 72 1HG LYS 72 -4.975 -3.498 -9.789 625 2HG LYS 72 2HG LYS 72 -5.703 -5.084 -10.031 626 1HD LYS 72 1HD LYS 72 -3.207 -3.990 -11.365 627 2HD LYS 72 2HD LYS 72 -3.306 -5.264 -10.152 628 1HE LYS 72 1HE LYS 72 -3.459 -6.807 -11.757 629 2HE LYS 72 2HE LYS 72 -5.022 -6.134 -12.226 630 1HZ LYS 72 1HZ LYS 72 -3.885 -4.655 -13.747 631 2HZ LYS 72 2HZ LYS 72 -2.411 -5.195 -13.262 632 3HZ LYS 72 3HZ LYS 72 -3.427 -6.201 -14.074 633 H THR 73 H THR 73 -9.000 -2.720 -12.367 634 HA THR 73 HA THR 73 -8.533 -1.334 -14.914 635 HB THR 73 HB THR 73 -9.889 -3.471 -14.524 636 HG1 THR 73 HG1 THR 73 -11.369 -2.760 -16.181 637 1HG2 THR 73 1HG2 THR 73 -11.506 -2.170 -12.835 638 2HG2 THR 73 2HG2 THR 73 -12.343 -1.751 -14.325 639 3HG2 THR 73 3HG2 THR 73 -12.083 -3.460 -13.886 640 H GLU 74 H GLU 74 -9.912 -0.497 -11.781 641 HA GLU 74 HA GLU 74 -11.145 1.942 -12.636 642 1HB GLU 74 1HB GLU 74 -10.281 0.796 -9.969 643 2HB GLU 74 2HB GLU 74 -10.684 2.502 -10.084 644 1HG GLU 74 1HG GLU 74 -12.876 1.942 -11.114 645 2HG GLU 74 2HG GLU 74 -12.535 0.225 -10.901 646 HA PRO 75 HA PRO 75 -7.579 4.542 -12.967 647 1HB PRO 75 1HB PRO 75 -8.683 7.034 -12.469 648 2HB PRO 75 2HB PRO 75 -8.893 6.110 -13.985 649 1HG PRO 75 1HG PRO 75 -10.822 6.438 -11.700 650 2HG PRO 75 2HG PRO 75 -11.153 6.294 -13.456 651 1HD PRO 75 1HD PRO 75 -11.358 4.231 -11.570 652 2HD PRO 75 2HD PRO 75 -11.213 4.006 -13.338 653 HA PRO 76 HA PRO 76 -6.096 5.202 -8.788 654 1HB PRO 76 1HB PRO 76 -3.941 6.858 -9.200 655 2HB PRO 76 2HB PRO 76 -3.957 5.130 -9.658 656 1HG PRO 76 1HG PRO 76 -4.377 7.548 -11.418 657 2HG PRO 76 2HG PRO 76 -3.466 6.046 -11.768 658 1HD PRO 76 1HD PRO 76 -6.066 6.567 -12.615 659 2HD PRO 76 2HD PRO 76 -5.395 4.922 -12.402 660 H ARG 77 H ARG 77 -5.965 6.779 -7.095 661 HA ARG 77 HA ARG 77 -6.520 9.577 -7.616 662 1HB ARG 77 1HB ARG 77 -8.788 8.063 -7.518 663 2HB ARG 77 2HB ARG 77 -8.607 8.376 -5.803 664 1HG ARG 77 1HG ARG 77 -8.799 10.430 -8.053 665 2HG ARG 77 2HG ARG 77 -10.051 10.035 -6.866 666 1HD ARG 77 1HD ARG 77 -8.596 10.863 -5.043 667 2HD ARG 77 2HD ARG 77 -7.347 11.279 -6.231 668 HE ARG 77 HE ARG 77 -9.646 12.610 -7.068 669 1HH1 ARG 77 1HH1 ARG 77 -7.466 12.711 -4.293 670 2HH1 ARG 77 2HH1 ARG 77 -7.794 14.383 -3.944 671 1HH2 ARG 77 1HH2 ARG 77 -9.961 14.816 -6.643 672 2HH2 ARG 77 2HH2 ARG 77 -9.152 15.536 -5.278 673 H GLU 78 H GLU 78 -4.803 10.266 -6.443 674 HA GLU 78 HA GLU 78 -4.162 9.442 -3.726 675 1HB GLU 78 1HB GLU 78 -3.245 11.586 -5.654 676 2HB GLU 78 2HB GLU 78 -2.979 11.853 -3.945 677 1HG GLU 78 1HG GLU 78 -1.045 10.808 -4.317 678 2HG GLU 78 2HG GLU 78 -1.986 9.365 -4.008 Start of MODEL 3 1 1H GLY -2 1H GLY -2 11.779 13.561 8.534 2 2H GLY -2 2H GLY -2 11.776 14.858 9.538 3 3H GLY -2 3H GLY -2 10.957 14.936 8.108 4 1HA GLY -2 1HA GLY -2 9.936 13.828 10.447 5 2HA GLY -2 2HA GLY -2 9.296 13.851 8.711 6 H SER -1 H SER -1 10.025 11.390 11.082 7 HA SER -1 HA SER -1 11.418 9.727 9.232 8 1HB SER -1 1HB SER -1 10.647 9.647 12.098 9 2HB SER -1 2HB SER -1 10.620 8.068 11.277 10 HG SER -1 HG SER -1 12.645 8.357 12.028 11 H HIS 0 H HIS 0 10.158 9.019 7.475 12 HA HIS 0 HA HIS 0 7.294 8.622 7.771 13 1HB HIS 0 1HB HIS 0 7.190 8.162 5.523 14 2HB HIS 0 2HB HIS 0 8.491 9.324 5.640 15 HD1 HIS 0 HD1 HIS 0 7.676 6.125 4.105 16 HD2 HIS 0 HD2 HIS 0 11.135 7.847 5.793 17 HE1 HIS 0 HE1 HIS 0 9.694 4.806 3.155 18 HE2 HIS 0 HE2 HIS 0 11.791 5.852 4.215 19 H MET 1 H MET 1 6.398 7.082 8.895 20 HA MET 1 HA MET 1 7.718 4.647 9.603 21 1HB MET 1 1HB MET 1 5.300 5.985 10.325 22 2HB MET 1 2HB MET 1 4.771 4.485 9.573 23 1HG MET 1 1HG MET 1 6.914 3.712 11.236 24 2HG MET 1 2HG MET 1 6.072 4.947 12.156 25 1HE MET 1 1HE MET 1 5.477 1.059 12.989 26 2HE MET 1 2HE MET 1 5.628 0.879 11.223 27 3HE MET 1 3HE MET 1 6.811 1.839 12.114 28 H THR 2 H THR 2 6.995 2.439 9.078 29 HA THR 2 HA THR 2 5.849 2.054 6.370 30 HB THR 2 HB THR 2 7.796 0.619 5.793 31 HG1 THR 2 HG1 THR 2 9.716 1.218 7.163 32 1HG2 THR 2 1HG2 THR 2 9.272 2.356 5.103 33 2HG2 THR 2 2HG2 THR 2 7.666 3.104 5.157 34 3HG2 THR 2 3HG2 THR 2 8.825 3.402 6.468 35 H LEU 3 H LEU 3 4.987 0.039 6.039 36 HA LEU 3 HA LEU 3 5.023 -1.874 8.304 37 1HB LEU 3 1HB LEU 3 2.539 -0.646 7.011 38 2HB LEU 3 2HB LEU 3 2.516 -2.103 7.952 39 HG LEU 3 HG LEU 3 1.764 -0.368 9.356 40 1HD1 LEU 3 1HD1 LEU 3 3.424 -2.122 10.256 41 2HD1 LEU 3 2HD1 LEU 3 4.575 -0.783 10.357 42 3HD1 LEU 3 3HD1 LEU 3 3.066 -0.725 11.266 43 1HD2 LEU 3 1HD2 LEU 3 3.294 1.411 7.973 44 2HD2 LEU 3 2HD2 LEU 3 2.469 1.756 9.488 45 3HD2 LEU 3 3HD2 LEU 3 4.173 1.320 9.503 46 H ARG 4 H ARG 4 4.371 -3.908 7.710 47 HA ARG 4 HA ARG 4 4.968 -4.590 4.828 48 1HB ARG 4 1HB ARG 4 5.658 -6.825 5.729 49 2HB ARG 4 2HB ARG 4 6.677 -5.484 6.171 50 1HG ARG 4 1HG ARG 4 4.503 -6.029 8.181 51 2HG ARG 4 2HG ARG 4 5.559 -7.391 7.890 52 1HD ARG 4 1HD ARG 4 6.907 -6.483 9.422 53 2HD ARG 4 2HD ARG 4 7.444 -5.428 8.122 54 HE ARG 4 HE ARG 4 5.122 -4.370 9.587 55 1HH1 ARG 4 1HH1 ARG 4 8.595 -4.540 9.646 56 2HH1 ARG 4 2HH1 ARG 4 8.744 -3.136 10.659 57 1HH2 ARG 4 1HH2 ARG 4 5.351 -2.549 10.830 58 2HH2 ARG 4 2HH2 ARG 4 6.937 -2.047 11.280 59 H ILE 5 H ILE 5 4.049 -6.723 4.190 60 HA ILE 5 HA ILE 5 1.228 -6.659 4.250 61 HB ILE 5 HB ILE 5 3.011 -8.076 2.845 62 1HG1 ILE 5 1HG1 ILE 5 0.533 -7.650 2.487 63 2HG1 ILE 5 2HG1 ILE 5 1.213 -9.099 1.772 64 1HG2 ILE 5 1HG2 ILE 5 2.210 -10.189 4.898 65 2HG2 ILE 5 2HG2 ILE 5 2.851 -10.506 3.311 66 3HG2 ILE 5 3HG2 ILE 5 3.829 -9.603 4.492 67 1HD1 ILE 5 1HD1 ILE 5 0.156 -9.524 4.527 68 2HD1 ILE 5 2HD1 ILE 5 -0.963 -8.989 3.314 69 3HD1 ILE 5 3HD1 ILE 5 0.064 -10.486 3.104 70 H ARG 6 H ARG 6 3.488 -8.191 6.476 71 HA ARG 6 HA ARG 6 1.680 -9.774 7.995 72 1HB ARG 6 1HB ARG 6 4.276 -9.374 8.335 73 2HB ARG 6 2HB ARG 6 3.727 -8.042 9.380 74 1HG ARG 6 1HG ARG 6 2.268 -9.763 10.602 75 2HG ARG 6 2HG ARG 6 3.104 -11.010 9.676 76 1HD ARG 6 1HD ARG 6 5.003 -10.822 10.890 77 2HD ARG 6 2HD ARG 6 4.928 -9.053 10.979 78 HE ARG 6 HE ARG 6 2.867 -9.914 12.637 79 1HH1 ARG 6 1HH1 ARG 6 6.272 -10.550 12.573 80 2HH1 ARG 6 2HH1 ARG 6 6.382 -10.766 14.298 81 1HH2 ARG 6 1HH2 ARG 6 3.021 -10.192 14.832 82 2HH2 ARG 6 2HH2 ARG 6 4.569 -10.558 15.523 83 H THR 7 H THR 7 1.899 -6.323 7.864 84 HA THR 7 HA THR 7 0.278 -5.779 10.248 85 HB THR 7 HB THR 7 1.300 -3.984 8.088 86 HG1 THR 7 HG1 THR 7 2.604 -5.107 9.741 87 1HG2 THR 7 1HG2 THR 7 0.522 -2.130 9.226 88 2HG2 THR 7 2HG2 THR 7 -0.871 -3.139 9.255 89 3HG2 THR 7 3HG2 THR 7 0.136 -3.036 10.717 90 H ILE 8 H ILE 8 -0.228 -6.210 6.780 91 HA ILE 8 HA ILE 8 -3.030 -5.325 6.869 92 HB ILE 8 HB ILE 8 -1.608 -6.757 4.608 93 1HG1 ILE 8 1HG1 ILE 8 -1.515 -3.798 5.301 94 2HG1 ILE 8 2HG1 ILE 8 -0.135 -4.860 5.252 95 1HG2 ILE 8 1HG2 ILE 8 -3.848 -4.660 4.624 96 2HG2 ILE 8 2HG2 ILE 8 -3.330 -5.666 3.259 97 3HG2 ILE 8 3HG2 ILE 8 -4.161 -6.408 4.595 98 1HD1 ILE 8 1HD1 ILE 8 -0.287 -5.264 2.899 99 2HD1 ILE 8 2HD1 ILE 8 -1.745 -4.285 2.763 100 3HD1 ILE 8 3HD1 ILE 8 -0.220 -3.519 3.230 101 H ALA 9 H ALA 9 -1.145 -8.312 6.849 102 HA ALA 9 HA ALA 9 -3.425 -10.073 6.669 103 1HB ALA 9 1HB ALA 9 -0.739 -10.420 6.218 104 2HB ALA 9 2HB ALA 9 -0.865 -11.099 7.848 105 3HB ALA 9 3HB ALA 9 -1.920 -11.677 6.547 106 H ARG 10 H ARG 10 -1.297 -9.168 9.311 107 HA ARG 10 HA ARG 10 -2.595 -10.536 11.421 108 1HB ARG 10 1HB ARG 10 -1.672 -8.971 12.968 109 2HB ARG 10 2HB ARG 10 -0.474 -9.171 11.706 110 1HG ARG 10 1HG ARG 10 -1.329 -7.122 10.613 111 2HG ARG 10 2HG ARG 10 -2.487 -6.823 11.864 112 1HD ARG 10 1HD ARG 10 0.487 -6.941 12.397 113 2HD ARG 10 2HD ARG 10 -0.423 -5.453 12.097 114 HE ARG 10 HE ARG 10 -0.623 -7.128 14.503 115 1HH1 ARG 10 1HH1 ARG 10 -2.148 -4.587 12.664 116 2HH1 ARG 10 2HH1 ARG 10 -3.038 -3.984 14.037 117 1HH2 ARG 10 1HH2 ARG 10 -1.795 -6.364 16.210 118 2HH2 ARG 10 2HH2 ARG 10 -2.849 -5.007 16.002 119 H MET 11 H MET 11 -3.795 -7.926 9.553 120 HA MET 11 HA MET 11 -5.608 -6.497 11.145 121 1HB MET 11 1HB MET 11 -5.934 -7.616 8.330 122 2HB MET 11 2HB MET 11 -7.112 -6.548 9.061 123 1HG MET 11 1HG MET 11 -4.297 -5.633 9.179 124 2HG MET 11 2HG MET 11 -5.080 -5.548 7.599 125 1HE MET 11 1HE MET 11 -4.569 -2.211 8.741 126 2HE MET 11 2HE MET 11 -4.761 -2.575 10.480 127 3HE MET 11 3HE MET 11 -3.730 -3.596 9.464 128 H THR 12 H THR 12 -6.053 -9.632 9.616 129 HA THR 12 HA THR 12 -8.104 -10.298 11.689 130 HB THR 12 HB THR 12 -9.139 -9.466 9.538 131 HG1 THR 12 HG1 THR 12 -10.155 -10.976 11.092 132 1HG2 THR 12 1HG2 THR 12 -7.417 -11.175 8.188 133 2HG2 THR 12 2HG2 THR 12 -8.978 -12.050 8.193 134 3HG2 THR 12 3HG2 THR 12 -8.910 -10.455 7.627 135 H GLY 13 H GLY 13 -5.564 -11.364 9.513 136 1HA GLY 13 1HA GLY 13 -4.138 -13.156 9.788 137 2HA GLY 13 2HA GLY 13 -5.262 -13.921 10.923 138 H ILE 14 H ILE 14 -7.470 -13.333 8.893 139 HA ILE 14 HA ILE 14 -7.185 -15.824 7.327 140 HB ILE 14 HB ILE 14 -9.520 -13.858 7.363 141 1HG1 ILE 14 1HG1 ILE 14 -10.277 -16.159 8.779 142 2HG1 ILE 14 2HG1 ILE 14 -8.608 -15.944 9.288 143 1HG2 ILE 14 1HG2 ILE 14 -10.823 -15.695 6.484 144 2HG2 ILE 14 2HG2 ILE 14 -9.557 -15.190 5.373 145 3HG2 ILE 14 3HG2 ILE 14 -9.330 -16.670 6.332 146 1HD1 ILE 14 1HD1 ILE 14 -9.206 -13.504 9.749 147 2HD1 ILE 14 2HD1 ILE 14 -10.904 -13.991 9.591 148 3HD1 ILE 14 3HD1 ILE 14 -9.856 -14.689 10.858 149 H ARG 15 H ARG 15 -7.569 -12.389 6.692 150 HA ARG 15 HA ARG 15 -7.501 -12.376 3.833 151 1HB ARG 15 1HB ARG 15 -6.124 -10.431 5.732 152 2HB ARG 15 2HB ARG 15 -6.326 -10.166 3.997 153 1HG ARG 15 1HG ARG 15 -8.612 -9.939 4.084 154 2HG ARG 15 2HG ARG 15 -8.808 -10.805 5.558 155 1HD ARG 15 1HD ARG 15 -7.387 -8.909 6.713 156 2HD ARG 15 2HD ARG 15 -7.714 -7.970 5.264 157 HE ARG 15 HE ARG 15 -10.117 -9.158 6.480 158 1HH1 ARG 15 1HH1 ARG 15 -8.074 -6.432 6.622 159 2HH1 ARG 15 2HH1 ARG 15 -9.242 -5.399 7.425 160 1HH2 ARG 15 1HH2 ARG 15 -11.631 -7.916 7.478 161 2HH2 ARG 15 2HH2 ARG 15 -11.265 -6.271 7.897 162 H GLU 16 H GLU 16 -4.899 -13.098 6.101 163 HA GLU 16 HA GLU 16 -2.634 -12.792 4.459 164 1HB GLU 16 1HB GLU 16 -2.938 -13.623 6.967 165 2HB GLU 16 2HB GLU 16 -2.954 -15.210 6.211 166 1HG GLU 16 1HG GLU 16 -0.785 -13.735 4.967 167 2HG GLU 16 2HG GLU 16 -0.695 -13.406 6.682 168 H ALA 17 H ALA 17 -4.611 -15.708 4.712 169 HA ALA 17 HA ALA 17 -3.313 -17.229 2.740 170 1HB ALA 17 1HB ALA 17 -5.343 -17.769 4.391 171 2HB ALA 17 2HB ALA 17 -6.333 -17.263 3.006 172 3HB ALA 17 3HB ALA 17 -5.198 -18.615 2.829 173 H THR 18 H THR 18 -5.378 -14.520 2.389 174 HA THR 18 HA THR 18 -5.753 -14.749 -0.530 175 HB THR 18 HB THR 18 -7.176 -13.392 1.599 176 HG1 THR 18 HG1 THR 18 -8.477 -14.334 0.396 177 1HG2 THR 18 1HG2 THR 18 -6.316 -11.745 -0.734 178 2HG2 THR 18 2HG2 THR 18 -7.835 -11.469 0.135 179 3HG2 THR 18 3HG2 THR 18 -6.272 -11.271 0.960 180 H LEU 19 H LEU 19 -4.070 -12.589 1.803 181 HA LEU 19 HA LEU 19 -3.037 -10.735 -0.103 182 1HB LEU 19 1HB LEU 19 -1.761 -11.731 2.435 183 2HB LEU 19 2HB LEU 19 -1.435 -10.231 1.554 184 HG LEU 19 HG LEU 19 -4.238 -10.649 2.569 185 1HD1 LEU 19 1HD1 LEU 19 -2.863 -9.268 4.629 186 2HD1 LEU 19 2HD1 LEU 19 -3.768 -10.749 4.709 187 3HD1 LEU 19 3HD1 LEU 19 -2.046 -10.801 4.363 188 1HD2 LEU 19 1HD2 LEU 19 -4.575 -8.578 2.162 189 2HD2 LEU 19 2HD2 LEU 19 -3.124 -8.026 3.010 190 3HD2 LEU 19 3HD2 LEU 19 -3.006 -8.534 1.333 191 H ARG 20 H ARG 20 -1.577 -13.662 1.292 192 HA ARG 20 HA ARG 20 0.784 -13.717 -0.469 193 1HB ARG 20 1HB ARG 20 -0.620 -15.956 1.050 194 2HB ARG 20 2HB ARG 20 0.971 -16.006 0.258 195 1HG ARG 20 1HG ARG 20 1.854 -14.328 1.812 196 2HG ARG 20 2HG ARG 20 0.266 -14.157 2.578 197 1HD ARG 20 1HD ARG 20 1.320 -15.560 4.046 198 2HD ARG 20 2HD ARG 20 0.393 -16.694 3.073 199 HE ARG 20 HE ARG 20 3.292 -16.354 3.273 200 1HH1 ARG 20 1HH1 ARG 20 0.806 -17.797 1.450 201 2HH1 ARG 20 2HH1 ARG 20 1.819 -18.937 0.585 202 1HH2 ARG 20 1HH2 ARG 20 4.644 -17.767 2.236 203 2HH2 ARG 20 2HH2 ARG 20 4.011 -18.906 1.072 204 H ALA 21 H ALA 21 -2.540 -14.781 -0.744 205 HA ALA 21 HA ALA 21 -2.056 -16.581 -3.010 206 1HB ALA 21 1HB ALA 21 -4.111 -16.933 -1.841 207 2HB ALA 21 2HB ALA 21 -4.625 -15.239 -2.122 208 3HB ALA 21 3HB ALA 21 -4.499 -16.351 -3.455 209 H TRP 22 H TRP 22 -3.509 -13.268 -2.803 210 HA TRP 22 HA TRP 22 -3.560 -12.631 -5.503 211 1HB TRP 22 1HB TRP 22 -2.883 -10.828 -3.214 212 2HB TRP 22 2HB TRP 22 -3.392 -10.429 -4.871 213 HD1 TRP 22 HD1 TRP 22 -5.785 -12.713 -4.743 214 HE1 TRP 22 HE1 TRP 22 -8.011 -11.968 -3.650 215 HE3 TRP 22 HE3 TRP 22 -4.024 -9.099 -1.715 216 HZ2 TRP 22 HZ2 TRP 22 -8.851 -10.096 -1.710 217 HZ3 TRP 22 HZ3 TRP 22 -5.464 -7.820 -0.287 218 HH2 TRP 22 HH2 TRP 22 -7.964 -8.288 -0.184 219 H GLU 23 H GLU 23 -0.745 -12.654 -3.322 220 HA GLU 23 HA GLU 23 1.147 -11.425 -4.974 221 1HB GLU 23 1HB GLU 23 1.320 -12.656 -2.666 222 2HB GLU 23 2HB GLU 23 1.702 -14.088 -3.651 223 1HG GLU 23 1HG GLU 23 3.621 -13.180 -4.561 224 2HG GLU 23 2HG GLU 23 3.194 -11.530 -4.108 225 H ARG 24 H ARG 24 0.146 -14.822 -5.210 226 HA ARG 24 HA ARG 24 1.440 -15.051 -7.917 227 1HB ARG 24 1HB ARG 24 1.445 -16.854 -5.819 228 2HB ARG 24 2HB ARG 24 0.051 -17.432 -6.744 229 1HG ARG 24 1HG ARG 24 1.533 -17.421 -8.821 230 2HG ARG 24 2HG ARG 24 2.876 -16.914 -7.772 231 1HD ARG 24 1HD ARG 24 2.235 -19.019 -6.358 232 2HD ARG 24 2HD ARG 24 1.370 -19.539 -7.825 233 HE ARG 24 HE ARG 24 3.931 -18.803 -8.669 234 1HH1 ARG 24 1HH1 ARG 24 2.685 -21.122 -6.457 235 2HH1 ARG 24 2HH1 ARG 24 4.013 -22.248 -6.627 236 1HH2 ARG 24 1HH2 ARG 24 5.641 -20.218 -8.911 237 2HH2 ARG 24 2HH2 ARG 24 5.671 -21.713 -8.024 238 H ARG 25 H ARG 25 -1.549 -14.528 -6.562 239 HA ARG 25 HA ARG 25 -3.174 -15.690 -8.735 240 1HB ARG 25 1HB ARG 25 -3.751 -15.053 -6.081 241 2HB ARG 25 2HB ARG 25 -4.486 -13.734 -6.911 242 1HG ARG 25 1HG ARG 25 -5.996 -15.090 -8.030 243 2HG ARG 25 2HG ARG 25 -4.984 -16.522 -7.826 244 1HD ARG 25 1HD ARG 25 -5.673 -15.437 -5.184 245 2HD ARG 25 2HD ARG 25 -7.132 -15.666 -6.120 246 HE ARG 25 HE ARG 25 -5.389 -17.736 -5.061 247 1HH1 ARG 25 1HH1 ARG 25 -7.484 -17.085 -7.712 248 2HH1 ARG 25 2HH1 ARG 25 -7.873 -18.749 -8.054 249 1HH2 ARG 25 1HH2 ARG 25 -5.834 -19.883 -5.464 250 2HH2 ARG 25 2HH2 ARG 25 -6.905 -20.316 -6.772 251 H TYR 26 H TYR 26 -2.646 -12.424 -7.593 252 HA TYR 26 HA TYR 26 -3.101 -11.328 -10.333 253 1HB TYR 26 1HB TYR 26 -4.023 -9.912 -7.784 254 2HB TYR 26 2HB TYR 26 -4.397 -9.523 -9.460 255 HD1 TYR 26 HD1 TYR 26 -5.137 -11.492 -6.555 256 HD2 TYR 26 HD2 TYR 26 -6.034 -10.997 -10.713 257 HE1 TYR 26 HE1 TYR 26 -7.048 -13.093 -6.338 258 HE2 TYR 26 HE2 TYR 26 -8.062 -12.402 -10.448 259 HH TYR 26 HH TYR 26 -8.585 -14.498 -7.813 260 H GLY 27 H GLY 27 -2.083 -10.228 -7.152 261 1HA GLY 27 1HA GLY 27 0.347 -9.769 -6.876 262 2HA GLY 27 2HA GLY 27 0.189 -8.663 -8.267 263 H PHE 28 H PHE 28 -2.716 -8.385 -6.786 264 HA PHE 28 HA PHE 28 -1.953 -5.877 -5.565 265 1HB PHE 28 1HB PHE 28 -3.752 -5.535 -6.834 266 2HB PHE 28 2HB PHE 28 -4.478 -7.097 -6.541 267 HD1 PHE 28 HD1 PHE 28 -5.552 -7.554 -4.142 268 HD2 PHE 28 HD2 PHE 28 -4.571 -3.613 -5.702 269 HE1 PHE 28 HE1 PHE 28 -7.041 -6.550 -2.522 270 HE2 PHE 28 HE2 PHE 28 -6.158 -2.644 -4.156 271 HZ PHE 28 HZ PHE 28 -7.472 -4.094 -2.620 272 HA PRO 29 HA PRO 29 -2.198 -4.625 -3.923 273 1HB PRO 29 1HB PRO 29 -0.800 -4.010 -1.763 274 2HB PRO 29 2HB PRO 29 -2.556 -3.907 -1.953 275 1HG PRO 29 1HG PRO 29 -1.074 -5.959 -0.255 276 2HG PRO 29 2HG PRO 29 -2.652 -5.328 -0.042 277 1HD PRO 29 1HD PRO 29 -1.895 -7.727 -1.368 278 2HD PRO 29 2HD PRO 29 -3.528 -7.016 -1.327 279 H ARG 30 H ARG 30 -0.233 -3.764 -4.533 280 HA ARG 30 HA ARG 30 1.841 -5.772 -5.216 281 1HB ARG 30 1HB ARG 30 2.732 -4.191 -6.776 282 2HB ARG 30 2HB ARG 30 1.036 -4.554 -7.047 283 1HG ARG 30 1HG ARG 30 1.016 -2.258 -5.334 284 2HG ARG 30 2HG ARG 30 2.350 -1.980 -6.463 285 1HD ARG 30 1HD ARG 30 0.724 -2.426 -8.323 286 2HD ARG 30 2HD ARG 30 -0.536 -2.688 -7.083 287 HE ARG 30 HE ARG 30 0.752 -0.153 -6.673 288 1HH1 ARG 30 1HH1 ARG 30 -1.627 -1.672 -8.582 289 2HH1 ARG 30 2HH1 ARG 30 -2.515 -0.194 -8.934 290 1HH2 ARG 30 1HH2 ARG 30 -0.334 1.756 -7.123 291 2HH2 ARG 30 2HH2 ARG 30 -1.758 1.723 -8.107 292 HA PRO 31 HA PRO 31 4.191 -3.973 -1.828 293 1HB PRO 31 1HB PRO 31 6.254 -5.823 -1.930 294 2HB PRO 31 2HB PRO 31 4.737 -5.980 -0.985 295 1HG PRO 31 1HG PRO 31 5.588 -7.394 -3.459 296 2HG PRO 31 2HG PRO 31 4.318 -7.847 -2.276 297 1HD PRO 31 1HD PRO 31 3.989 -6.603 -4.833 298 2HD PRO 31 2HD PRO 31 2.734 -6.972 -3.610 299 H LEU 32 H LEU 32 5.445 -2.331 -2.110 300 HA LEU 32 HA LEU 32 6.885 -1.760 -4.604 301 1HB LEU 32 1HB LEU 32 7.812 0.188 -3.007 302 2HB LEU 32 2HB LEU 32 6.297 0.285 -3.853 303 HG LEU 32 HG LEU 32 6.364 -0.808 -1.038 304 1HD1 LEU 32 1HD1 LEU 32 7.453 1.051 -0.506 305 2HD1 LEU 32 2HD1 LEU 32 6.731 2.037 -1.802 306 3HD1 LEU 32 3HD1 LEU 32 5.792 1.616 -0.347 307 1HD2 LEU 32 1HD2 LEU 32 4.145 -0.995 -1.590 308 2HD2 LEU 32 2HD2 LEU 32 4.039 0.752 -1.395 309 3HD2 LEU 32 3HD2 LEU 32 4.274 0.040 -2.987 310 H ARG 33 H ARG 33 9.147 -0.959 -4.372 311 HA ARG 33 HA ARG 33 10.906 -3.194 -3.707 312 1HB ARG 33 1HB ARG 33 11.414 -0.304 -4.590 313 2HB ARG 33 2HB ARG 33 12.740 -1.332 -4.090 314 1HG ARG 33 1HG ARG 33 12.830 -1.814 -6.276 315 2HG ARG 33 2HG ARG 33 11.767 -3.099 -5.745 316 1HD ARG 33 1HD ARG 33 10.148 -0.751 -6.371 317 2HD ARG 33 2HD ARG 33 11.294 -0.993 -7.679 318 HE ARG 33 HE ARG 33 8.980 -2.626 -7.055 319 1HH1 ARG 33 1HH1 ARG 33 12.196 -2.924 -8.302 320 2HH1 ARG 33 2HH1 ARG 33 11.860 -4.367 -9.220 321 1HH2 ARG 33 1HH2 ARG 33 8.559 -4.481 -8.197 322 2HH2 ARG 33 2HH2 ARG 33 9.817 -5.211 -9.159 323 H SER 34 H SER 34 13.006 -2.641 -2.430 324 HA SER 34 HA SER 34 12.683 -1.055 -0.114 325 1HB SER 34 1HB SER 34 12.628 -2.878 1.549 326 2HB SER 34 2HB SER 34 11.159 -2.853 0.572 327 HG SER 34 HG SER 34 11.836 -4.629 -0.562 328 H GLU 35 H GLU 35 14.548 -1.458 1.374 329 HA GLU 35 HA GLU 35 17.006 -1.560 -0.138 330 1HB GLU 35 1HB GLU 35 16.164 -0.638 2.467 331 2HB GLU 35 2HB GLU 35 17.325 -1.907 2.747 332 1HG GLU 35 1HG GLU 35 18.690 -0.619 0.796 333 2HG GLU 35 2HG GLU 35 17.625 0.707 1.258 334 H GLY 36 H GLY 36 18.785 -2.965 1.378 335 1HA GLY 36 1HA GLY 36 18.626 -5.610 0.287 336 2HA GLY 36 2HA GLY 36 19.723 -5.089 1.580 337 H ASN 37 H ASN 37 19.217 -5.504 3.712 338 HA ASN 37 HA ASN 37 17.629 -7.778 4.331 339 1HB ASN 37 1HB ASN 37 18.081 -5.478 6.277 340 2HB ASN 37 2HB ASN 37 17.839 -7.188 6.656 341 1HD2 ASN 37 1HD2 ASN 37 20.108 -4.721 5.906 342 2HD2 ASN 37 2HD2 ASN 37 21.498 -5.819 5.845 343 H ASN 38 H ASN 38 16.764 -4.351 4.417 344 HA ASN 38 HA ASN 38 14.271 -4.380 5.638 345 1HB ASN 38 1HB ASN 38 15.673 -2.409 4.465 346 2HB ASN 38 2HB ASN 38 14.608 -2.786 3.111 347 1HD2 ASN 38 1HD2 ASN 38 12.130 -2.982 3.723 348 2HD2 ASN 38 2HD2 ASN 38 11.690 -1.758 4.927 349 H TYR 39 H TYR 39 12.698 -5.733 5.353 350 HA TYR 39 HA TYR 39 12.297 -7.188 2.920 351 1HB TYR 39 1HB TYR 39 10.058 -6.889 4.884 352 2HB TYR 39 2HB TYR 39 10.664 -8.347 4.096 353 HD1 TYR 39 HD1 TYR 39 10.235 -6.981 7.208 354 HD2 TYR 39 HD2 TYR 39 13.432 -8.606 4.824 355 HE1 TYR 39 HE1 TYR 39 11.580 -7.464 9.285 356 HE2 TYR 39 HE2 TYR 39 14.794 -8.937 6.838 357 HH TYR 39 HH TYR 39 14.909 -8.215 9.197 358 H ARG 40 H ARG 40 10.319 -7.159 1.650 359 HA ARG 40 HA ARG 40 9.542 -4.688 0.494 360 1HB ARG 40 1HB ARG 40 7.626 -5.827 -0.402 361 2HB ARG 40 2HB ARG 40 9.054 -6.849 -0.547 362 1HG ARG 40 1HG ARG 40 8.093 -7.741 1.870 363 2HG ARG 40 2HG ARG 40 6.584 -7.152 1.211 364 1HD ARG 40 1HD ARG 40 6.407 -8.911 -0.216 365 2HD ARG 40 2HD ARG 40 8.090 -8.764 -0.745 366 HE ARG 40 HE ARG 40 8.010 -9.844 1.914 367 1HH1 ARG 40 1HH1 ARG 40 7.437 -10.798 -1.377 368 2HH1 ARG 40 2HH1 ARG 40 7.858 -12.427 -1.126 369 1HH2 ARG 40 1HH2 ARG 40 8.520 -11.984 2.262 370 2HH2 ARG 40 2HH2 ARG 40 8.474 -13.066 0.896 371 H VAL 41 H VAL 41 7.658 -3.503 0.564 372 HA VAL 41 HA VAL 41 6.074 -3.523 3.063 373 HB VAL 41 HB VAL 41 7.517 -2.052 3.945 374 1HG1 VAL 41 1HG1 VAL 41 9.075 -0.533 2.768 375 2HG1 VAL 41 2HG1 VAL 41 9.311 -2.201 2.304 376 3HG1 VAL 41 3HG1 VAL 41 8.430 -1.108 1.209 377 1HG2 VAL 41 1HG2 VAL 41 6.152 -0.102 2.047 378 2HG2 VAL 41 2HG2 VAL 41 5.596 -0.570 3.659 379 3HG2 VAL 41 3HG2 VAL 41 7.063 0.371 3.480 380 H TYR 42 H TYR 42 4.338 -1.974 2.941 381 HA TYR 42 HA TYR 42 3.187 -1.723 0.191 382 1HB TYR 42 1HB TYR 42 2.032 -2.621 2.848 383 2HB TYR 42 2HB TYR 42 1.046 -2.080 1.558 384 HD1 TYR 42 HD1 TYR 42 0.619 -3.348 -0.378 385 HD2 TYR 42 HD2 TYR 42 3.544 -4.652 2.431 386 HE1 TYR 42 HE1 TYR 42 0.667 -5.639 -1.407 387 HE2 TYR 42 HE2 TYR 42 3.624 -6.916 1.295 388 HH TYR 42 HH TYR 42 2.861 -8.088 -0.760 389 H SER 43 H SER 43 1.220 -0.170 0.364 390 HA SER 43 HA SER 43 2.116 2.335 1.729 391 1HB SER 43 1HB SER 43 0.378 3.150 -0.196 392 2HB SER 43 2HB SER 43 2.139 3.228 -0.274 393 HG SER 43 HG SER 43 0.624 2.059 -1.967 394 H ARG 44 H ARG 44 0.581 3.623 2.724 395 HA ARG 44 HA ARG 44 -1.647 2.122 3.929 396 1HB ARG 44 1HB ARG 44 -0.385 4.015 5.033 397 2HB ARG 44 2HB ARG 44 -1.166 5.117 3.892 398 1HG ARG 44 1HG ARG 44 -2.909 5.295 5.293 399 2HG ARG 44 2HG ARG 44 -3.326 3.612 4.997 400 1HD ARG 44 1HD ARG 44 -1.959 2.817 6.804 401 2HD ARG 44 2HD ARG 44 -1.309 4.439 7.095 402 HE ARG 44 HE ARG 44 -3.274 5.097 8.126 403 1HH1 ARG 44 1HH1 ARG 44 -3.888 2.136 6.533 404 2HH1 ARG 44 2HH1 ARG 44 -5.440 1.854 7.286 405 1HH2 ARG 44 1HH2 ARG 44 -5.247 4.804 9.072 406 2HH2 ARG 44 2HH2 ARG 44 -6.201 3.393 8.738 407 H GLU 45 H GLU 45 -1.384 4.366 1.256 408 HA GLU 45 HA GLU 45 -4.228 4.751 0.816 409 1HB GLU 45 1HB GLU 45 -3.468 5.494 -1.432 410 2HB GLU 45 2HB GLU 45 -2.720 6.378 -0.099 411 1HG GLU 45 1HG GLU 45 -0.609 5.385 -0.408 412 2HG GLU 45 2HG GLU 45 -1.244 3.998 -1.257 413 H GLU 46 H GLU 46 -1.867 2.305 -0.264 414 HA GLU 46 HA GLU 46 -3.751 1.118 -2.193 415 1HB GLU 46 1HB GLU 46 -1.655 0.560 -2.868 416 2HB GLU 46 2HB GLU 46 -0.984 0.661 -1.268 417 1HG GLU 46 1HG GLU 46 -2.785 -1.684 -2.020 418 2HG GLU 46 2HG GLU 46 -1.104 -1.682 -2.476 419 H VAL 47 H VAL 47 -2.589 0.450 1.095 420 HA VAL 47 HA VAL 47 -4.015 -1.901 1.553 421 HB VAL 47 HB VAL 47 -3.076 0.347 3.340 422 1HG1 VAL 47 1HG1 VAL 47 -4.893 -1.852 4.386 423 2HG1 VAL 47 2HG1 VAL 47 -3.929 -0.745 5.392 424 3HG1 VAL 47 3HG1 VAL 47 -5.232 -0.103 4.395 425 1HG2 VAL 47 1HG2 VAL 47 -2.140 -2.176 2.549 426 2HG2 VAL 47 2HG2 VAL 47 -1.392 -1.101 3.687 427 3HG2 VAL 47 3HG2 VAL 47 -2.564 -2.347 4.242 428 H GLU 48 H GLU 48 -5.273 1.337 1.260 429 HA GLU 48 HA GLU 48 -7.812 1.083 2.513 430 1HB GLU 48 1HB GLU 48 -6.872 3.161 1.584 431 2HB GLU 48 2HB GLU 48 -7.063 2.500 -0.046 432 1HG GLU 48 1HG GLU 48 -9.159 3.154 -0.188 433 2HG GLU 48 2HG GLU 48 -9.611 2.148 1.175 434 H ALA 49 H ALA 49 -6.958 0.443 -0.907 435 HA ALA 49 HA ALA 49 -9.511 -0.614 -1.690 436 1HB ALA 49 1HB ALA 49 -6.700 -1.142 -2.729 437 2HB ALA 49 2HB ALA 49 -8.209 -1.636 -3.550 438 3HB ALA 49 3HB ALA 49 -7.823 0.087 -3.335 439 H VAL 50 H VAL 50 -6.511 -2.200 -0.561 440 HA VAL 50 HA VAL 50 -7.484 -4.894 -0.583 441 HB VAL 50 HB VAL 50 -5.449 -3.671 1.294 442 1HG1 VAL 50 1HG1 VAL 50 -4.652 -6.241 0.908 443 2HG1 VAL 50 2HG1 VAL 50 -5.601 -5.707 2.282 444 3HG1 VAL 50 3HG1 VAL 50 -6.429 -6.436 0.913 445 1HG2 VAL 50 1HG2 VAL 50 -3.987 -3.714 -0.340 446 2HG2 VAL 50 2HG2 VAL 50 -4.662 -5.181 -1.151 447 3HG2 VAL 50 3HG2 VAL 50 -5.267 -3.568 -1.444 448 H ARG 51 H ARG 51 -7.582 -2.506 1.972 449 HA ARG 51 HA ARG 51 -8.800 -4.088 4.051 450 1HB ARG 51 1HB ARG 51 -8.298 -1.214 3.503 451 2HB ARG 51 2HB ARG 51 -9.872 -1.483 4.189 452 1HG ARG 51 1HG ARG 51 -8.959 -2.596 6.115 453 2HG ARG 51 2HG ARG 51 -7.338 -2.642 5.390 454 1HD ARG 51 1HD ARG 51 -7.192 -0.850 6.876 455 2HD ARG 51 2HD ARG 51 -7.439 -0.063 5.324 456 HE ARG 51 HE ARG 51 -9.297 -0.153 7.612 457 1HH1 ARG 51 1HH1 ARG 51 -9.075 0.637 4.212 458 2HH1 ARG 51 2HH1 ARG 51 -10.473 1.622 4.202 459 1HH2 ARG 51 1HH2 ARG 51 -11.195 1.052 7.570 460 2HH2 ARG 51 2HH2 ARG 51 -11.651 1.799 6.057 461 H ARG 52 H ARG 52 -10.140 -2.313 1.312 462 HA ARG 52 HA ARG 52 -12.936 -2.857 2.031 463 1HB ARG 52 1HB ARG 52 -11.569 -1.220 0.058 464 2HB ARG 52 2HB ARG 52 -12.588 -2.374 -0.811 465 1HG ARG 52 1HG ARG 52 -14.531 -1.786 0.521 466 2HG ARG 52 2HG ARG 52 -13.566 -0.661 1.508 467 1HD ARG 52 1HD ARG 52 -13.223 0.837 -0.283 468 2HD ARG 52 2HD ARG 52 -13.646 -0.381 -1.500 469 HE ARG 52 HE ARG 52 -15.868 0.308 0.277 470 1HH1 ARG 52 1HH1 ARG 52 -14.282 1.244 -2.733 471 2HH1 ARG 52 2HH1 ARG 52 -15.637 2.036 -3.356 472 1HH2 ARG 52 1HH2 ARG 52 -17.671 1.307 -0.580 473 2HH2 ARG 52 2HH2 ARG 52 -17.470 2.007 -2.172 474 H VAL 53 H VAL 53 -10.717 -4.151 -0.399 475 HA VAL 53 HA VAL 53 -12.398 -6.184 -1.429 476 HB VAL 53 HB VAL 53 -9.346 -6.174 -1.217 477 1HG1 VAL 53 1HG1 VAL 53 -11.298 -7.876 -2.726 478 2HG1 VAL 53 2HG1 VAL 53 -9.632 -7.672 -3.311 479 3HG1 VAL 53 3HG1 VAL 53 -9.915 -8.289 -1.698 480 1HG2 VAL 53 1HG2 VAL 53 -9.983 -5.556 -3.842 481 2HG2 VAL 53 2HG2 VAL 53 -11.224 -4.663 -2.913 482 3HG2 VAL 53 3HG2 VAL 53 -9.526 -4.413 -2.624 483 H ALA 54 H ALA 54 -9.854 -6.525 1.021 484 HA ALA 54 HA ALA 54 -10.277 -9.160 1.887 485 1HB ALA 54 1HB ALA 54 -8.418 -8.099 2.840 486 2HB ALA 54 2HB ALA 54 -9.301 -6.588 3.209 487 3HB ALA 54 3HB ALA 54 -9.671 -7.966 4.115 488 H ARG 55 H ARG 55 -11.832 -6.174 3.192 489 HA ARG 55 HA ARG 55 -13.628 -7.582 4.983 490 1HB ARG 55 1HB ARG 55 -13.097 -5.059 4.967 491 2HB ARG 55 2HB ARG 55 -14.182 -4.927 3.579 492 1HG ARG 55 1HG ARG 55 -15.125 -6.358 6.082 493 2HG ARG 55 2HG ARG 55 -15.032 -4.603 6.100 494 1HD ARG 55 1HD ARG 55 -16.590 -6.104 3.940 495 2HD ARG 55 2HD ARG 55 -17.295 -5.639 5.473 496 HE ARG 55 HE ARG 55 -16.076 -3.341 4.380 497 1HH1 ARG 55 1HH1 ARG 55 -18.670 -5.533 3.455 498 2HH1 ARG 55 2HH1 ARG 55 -19.535 -4.367 2.564 499 1HH2 ARG 55 1HH2 ARG 55 -17.229 -1.801 3.260 500 2HH2 ARG 55 2HH2 ARG 55 -18.710 -2.291 2.460 501 H LEU 56 H LEU 56 -14.085 -6.500 1.623 502 HA LEU 56 HA LEU 56 -16.798 -7.378 1.366 503 1HB LEU 56 1HB LEU 56 -14.661 -6.261 -0.302 504 2HB LEU 56 2HB LEU 56 -15.295 -7.613 -1.084 505 HG LEU 56 HG LEU 56 -17.286 -5.688 0.060 506 1HD1 LEU 56 1HD1 LEU 56 -16.014 -5.078 -2.616 507 2HD1 LEU 56 2HD1 LEU 56 -17.076 -4.069 -1.614 508 3HD1 LEU 56 3HD1 LEU 56 -15.404 -4.369 -1.116 509 1HD2 LEU 56 1HD2 LEU 56 -17.581 -7.947 -1.517 510 2HD2 LEU 56 2HD2 LEU 56 -18.777 -6.662 -1.385 511 3HD2 LEU 56 3HD2 LEU 56 -17.636 -6.659 -2.722 512 H ILE 57 H ILE 57 -13.698 -8.988 0.730 513 HA ILE 57 HA ILE 57 -14.763 -11.449 -0.152 514 HB ILE 57 HB ILE 57 -12.175 -10.633 1.179 515 1HG1 ILE 57 1HG1 ILE 57 -11.540 -12.108 -0.963 516 2HG1 ILE 57 2HG1 ILE 57 -13.129 -11.531 -1.505 517 1HG2 ILE 57 1HG2 ILE 57 -11.448 -13.218 0.791 518 2HG2 ILE 57 2HG2 ILE 57 -12.025 -12.563 2.331 519 3HG2 ILE 57 3HG2 ILE 57 -13.074 -13.504 1.279 520 1HD1 ILE 57 1HD1 ILE 57 -11.010 -9.712 -0.469 521 2HD1 ILE 57 2HD1 ILE 57 -11.166 -10.162 -2.150 522 3HD1 ILE 57 3HD1 ILE 57 -12.519 -9.361 -1.402 523 H GLN 58 H GLN 58 -14.203 -10.274 3.121 524 HA GLN 58 HA GLN 58 -14.848 -12.664 4.487 525 1HB GLN 58 1HB GLN 58 -14.559 -9.897 5.169 526 2HB GLN 58 2HB GLN 58 -16.153 -10.353 5.750 527 1HG GLN 58 1HG GLN 58 -13.405 -11.338 6.443 528 2HG GLN 58 2HG GLN 58 -14.648 -10.696 7.529 529 1HE2 GLN 58 1HE2 GLN 58 -12.980 -13.449 7.086 530 2HE2 GLN 58 2HE2 GLN 58 -14.367 -14.559 7.278 531 H GLU 59 H GLU 59 -16.969 -10.770 2.515 532 HA GLU 59 HA GLU 59 -19.473 -11.842 3.592 533 1HB GLU 59 1HB GLU 59 -18.981 -10.480 0.923 534 2HB GLU 59 2HB GLU 59 -20.491 -10.676 1.762 535 1HG GLU 59 1HG GLU 59 -18.532 -9.260 3.508 536 2HG GLU 59 2HG GLU 59 -18.633 -8.491 1.954 537 H GLU 60 H GLU 60 -17.669 -12.245 0.589 538 HA GLU 60 HA GLU 60 -18.586 -15.125 0.412 539 1HB GLU 60 1HB GLU 60 -18.777 -13.011 -1.778 540 2HB GLU 60 2HB GLU 60 -18.781 -14.746 -2.109 541 1HG GLU 60 1HG GLU 60 -20.694 -14.932 -0.390 542 2HG GLU 60 2HG GLU 60 -20.809 -13.171 -0.476 543 H GLY 61 H GLY 61 -16.307 -12.755 -0.678 544 1HA GLY 61 1HA GLY 61 -13.917 -13.279 -0.679 545 2HA GLY 61 2HA GLY 61 -14.247 -14.954 -0.927 546 H LEU 62 H LEU 62 -16.282 -14.073 -3.026 547 HA LEU 62 HA LEU 62 -14.671 -14.216 -5.380 548 1HB LEU 62 1HB LEU 62 -16.812 -14.724 -5.912 549 2HB LEU 62 2HB LEU 62 -17.503 -13.674 -4.683 550 HG LEU 62 HG LEU 62 -17.068 -11.688 -6.163 551 1HD1 LEU 62 1HD1 LEU 62 -16.886 -12.803 -8.723 552 2HD1 LEU 62 2HD1 LEU 62 -15.544 -12.083 -7.881 553 3HD1 LEU 62 3HD1 LEU 62 -15.752 -13.816 -7.804 554 1HD2 LEU 62 1HD2 LEU 62 -18.756 -13.570 -7.744 555 2HD2 LEU 62 2HD2 LEU 62 -19.211 -13.201 -6.062 556 3HD2 LEU 62 3HD2 LEU 62 -19.031 -11.889 -7.214 557 H SER 63 H SER 63 -15.667 -11.433 -3.494 558 HA SER 63 HA SER 63 -14.822 -9.310 -5.170 559 1HB SER 63 1HB SER 63 -15.112 -9.678 -2.265 560 2HB SER 63 2HB SER 63 -13.848 -8.526 -2.746 561 HG SER 63 HG SER 63 -16.438 -8.477 -3.878 562 H VAL 64 H VAL 64 -12.821 -11.843 -3.914 563 HA VAL 64 HA VAL 64 -10.250 -10.526 -4.105 564 HB VAL 64 HB VAL 64 -11.296 -13.324 -4.609 565 1HG1 VAL 64 1HG1 VAL 64 -8.658 -13.803 -4.721 566 2HG1 VAL 64 2HG1 VAL 64 -9.756 -13.562 -6.070 567 3HG1 VAL 64 3HG1 VAL 64 -8.749 -12.198 -5.495 568 1HG2 VAL 64 1HG2 VAL 64 -9.965 -11.898 -2.404 569 2HG2 VAL 64 2HG2 VAL 64 -10.861 -13.447 -2.414 570 3HG2 VAL 64 3HG2 VAL 64 -9.145 -13.389 -2.740 571 H SER 65 H SER 65 -11.940 -12.311 -6.769 572 HA SER 65 HA SER 65 -10.081 -10.884 -8.634 573 1HB SER 65 1HB SER 65 -11.175 -13.363 -8.766 574 2HB SER 65 2HB SER 65 -12.409 -12.458 -9.651 575 HG SER 65 HG SER 65 -11.028 -12.114 -11.234 576 H GLU 66 H GLU 66 -13.360 -10.634 -7.335 577 HA GLU 66 HA GLU 66 -14.275 -8.917 -9.518 578 1HB GLU 66 1HB GLU 66 -15.445 -10.073 -7.075 579 2HB GLU 66 2HB GLU 66 -15.838 -8.395 -7.233 580 1HG GLU 66 1HG GLU 66 -16.328 -9.040 -9.796 581 2HG GLU 66 2HG GLU 66 -16.533 -10.631 -9.144 582 H ALA 67 H ALA 67 -13.431 -8.201 -6.109 583 HA ALA 67 HA ALA 67 -13.571 -5.349 -6.309 584 1HB ALA 67 1HB ALA 67 -13.484 -6.883 -4.208 585 2HB ALA 67 2HB ALA 67 -11.739 -6.696 -4.475 586 3HB ALA 67 3HB ALA 67 -12.772 -5.276 -4.214 587 H ILE 68 H ILE 68 -10.802 -7.749 -6.597 588 HA ILE 68 HA ILE 68 -8.827 -5.692 -7.172 589 HB ILE 68 HB ILE 68 -8.927 -8.600 -7.958 590 1HG1 ILE 68 1HG1 ILE 68 -7.409 -6.971 -5.841 591 2HG1 ILE 68 2HG1 ILE 68 -8.693 -8.083 -5.483 592 1HG2 ILE 68 1HG2 ILE 68 -7.599 -7.602 -9.645 593 2HG2 ILE 68 2HG2 ILE 68 -6.661 -6.668 -8.439 594 3HG2 ILE 68 3HG2 ILE 68 -6.537 -8.441 -8.568 595 1HD1 ILE 68 1HD1 ILE 68 -6.985 -9.513 -5.087 596 2HD1 ILE 68 2HD1 ILE 68 -7.154 -9.784 -6.807 597 3HD1 ILE 68 3HD1 ILE 68 -5.868 -8.716 -6.197 598 H ALA 69 H ALA 69 -10.897 -7.701 -9.429 599 HA ALA 69 HA ALA 69 -9.859 -6.305 -11.754 600 1HB ALA 69 1HB ALA 69 -11.716 -7.336 -12.942 601 2HB ALA 69 2HB ALA 69 -10.929 -8.510 -11.875 602 3HB ALA 69 3HB ALA 69 -12.487 -7.754 -11.404 603 H GLN 70 H GLN 70 -12.425 -5.588 -9.455 604 HA GLN 70 HA GLN 70 -13.820 -3.565 -10.927 605 1HB GLN 70 1HB GLN 70 -13.792 -4.433 -8.057 606 2HB GLN 70 2HB GLN 70 -14.511 -2.901 -8.465 607 1HG GLN 70 1HG GLN 70 -16.069 -3.898 -10.011 608 2HG GLN 70 2HG GLN 70 -15.324 -5.476 -9.874 609 1HE2 GLN 70 1HE2 GLN 70 -16.704 -6.821 -8.706 610 2HE2 GLN 70 2HE2 GLN 70 -17.564 -6.278 -7.292 611 H VAL 71 H VAL 71 -11.547 -3.354 -8.161 612 HA VAL 71 HA VAL 71 -11.181 -0.533 -8.327 613 HB VAL 71 HB VAL 71 -10.554 -2.215 -6.451 614 1HG1 VAL 71 1HG1 VAL 71 -7.777 -2.013 -7.664 615 2HG1 VAL 71 2HG1 VAL 71 -8.351 -3.038 -6.311 616 3HG1 VAL 71 3HG1 VAL 71 -8.830 -3.405 -7.939 617 1HG2 VAL 71 1HG2 VAL 71 -10.368 0.193 -6.285 618 2HG2 VAL 71 2HG2 VAL 71 -8.955 -0.586 -5.546 619 3HG2 VAL 71 3HG2 VAL 71 -8.825 0.178 -7.153 620 H LYS 72 H LYS 72 -9.560 -3.217 -9.931 621 HA LYS 72 HA LYS 72 -7.462 -1.625 -11.164 622 1HB LYS 72 1HB LYS 72 -8.617 -4.391 -11.753 623 2HB LYS 72 2HB LYS 72 -7.472 -3.676 -12.827 624 1HG LYS 72 1HG LYS 72 -6.444 -3.393 -10.084 625 2HG LYS 72 2HG LYS 72 -6.912 -5.059 -10.345 626 1HD LYS 72 1HD LYS 72 -4.833 -5.236 -11.117 627 2HD LYS 72 2HD LYS 72 -5.635 -4.840 -12.629 628 1HE LYS 72 1HE LYS 72 -4.983 -2.373 -11.205 629 2HE LYS 72 2HE LYS 72 -3.567 -3.427 -11.190 630 1HZ LYS 72 1HZ LYS 72 -4.106 -3.661 -13.698 631 2HZ LYS 72 2HZ LYS 72 -4.990 -2.290 -13.513 632 3HZ LYS 72 3HZ LYS 72 -3.375 -2.271 -13.205 633 H THR 73 H THR 73 -10.542 -2.857 -12.438 634 HA THR 73 HA THR 73 -10.318 -1.416 -14.941 635 HB THR 73 HB THR 73 -11.778 -3.460 -14.523 636 HG1 THR 73 HG1 THR 73 -12.908 -1.131 -15.557 637 1HG2 THR 73 1HG2 THR 73 -13.498 -3.370 -13.045 638 2HG2 THR 73 2HG2 THR 73 -13.280 -1.643 -12.743 639 3HG2 THR 73 3HG2 THR 73 -14.283 -2.151 -14.050 640 H GLU 74 H GLU 74 -11.068 -0.459 -11.691 641 HA GLU 74 HA GLU 74 -12.607 1.817 -12.495 642 1HB GLU 74 1HB GLU 74 -11.902 0.564 -9.892 643 2HB GLU 74 2HB GLU 74 -12.073 2.279 -9.898 644 1HG GLU 74 1HG GLU 74 -14.326 1.793 -11.273 645 2HG GLU 74 2HG GLU 74 -14.158 0.166 -10.640 646 HA PRO 75 HA PRO 75 -9.202 4.433 -12.843 647 1HB PRO 75 1HB PRO 75 -10.440 6.926 -12.435 648 2HB PRO 75 2HB PRO 75 -10.396 5.972 -13.953 649 1HG PRO 75 1HG PRO 75 -12.668 6.355 -12.061 650 2HG PRO 75 2HG PRO 75 -12.675 5.850 -13.785 651 1HD PRO 75 1HD PRO 75 -12.923 4.191 -11.459 652 2HD PRO 75 2HD PRO 75 -12.835 3.705 -13.185 653 HA PRO 76 HA PRO 76 -7.825 5.365 -8.690 654 1HB PRO 76 1HB PRO 76 -5.713 7.138 -9.223 655 2HB PRO 76 2HB PRO 76 -5.672 5.381 -9.420 656 1HG PRO 76 1HG PRO 76 -5.885 7.501 -11.519 657 2HG PRO 76 2HG PRO 76 -5.257 5.828 -11.631 658 1HD PRO 76 1HD PRO 76 -7.820 6.795 -12.449 659 2HD PRO 76 2HD PRO 76 -7.238 5.102 -12.423 660 H ARG 77 H ARG 77 -10.108 6.526 -8.754 661 HA ARG 77 HA ARG 77 -9.952 8.952 -7.228 662 1HB ARG 77 1HB ARG 77 -10.150 9.225 -10.180 663 2HB ARG 77 2HB ARG 77 -11.544 9.932 -9.379 664 1HG ARG 77 1HG ARG 77 -10.178 11.287 -7.925 665 2HG ARG 77 2HG ARG 77 -8.690 10.604 -8.560 666 1HD ARG 77 1HD ARG 77 -10.379 11.517 -10.758 667 2HD ARG 77 2HD ARG 77 -10.149 12.805 -9.556 668 HE ARG 77 HE ARG 77 -7.658 11.520 -10.092 669 1HH1 ARG 77 1HH1 ARG 77 -9.895 13.595 -11.627 670 2HH1 ARG 77 2HH1 ARG 77 -8.748 14.416 -12.667 671 1HH2 ARG 77 1HH2 ARG 77 -6.121 12.533 -11.391 672 2HH2 ARG 77 2HH2 ARG 77 -6.598 13.778 -12.521 673 H GLU 78 H GLU 78 -11.257 8.048 -5.789 674 HA GLU 78 HA GLU 78 -13.756 6.705 -6.421 675 1HB GLU 78 1HB GLU 78 -12.218 7.535 -3.985 676 2HB GLU 78 2HB GLU 78 -13.963 7.479 -3.788 677 1HG GLU 78 1HG GLU 78 -12.274 5.193 -4.891 678 2HG GLU 78 2HG GLU 78 -12.786 5.345 -3.228 Start of MODEL 4 1 1H GLY -2 1H GLY -2 10.561 15.785 9.530 2 2H GLY -2 2H GLY -2 10.175 16.734 10.847 3 3H GLY -2 3H GLY -2 9.529 17.104 9.416 4 1HA GLY -2 1HA GLY -2 8.844 14.943 11.257 5 2HA GLY -2 2HA GLY -2 7.733 16.026 10.329 6 H SER -1 H SER -1 7.247 13.282 10.230 7 HA SER -1 HA SER -1 8.497 12.236 7.756 8 1HB SER -1 1HB SER -1 9.674 11.539 9.828 9 2HB SER -1 2HB SER -1 8.161 10.715 10.356 10 HG SER -1 HG SER -1 9.764 9.395 9.202 11 H HIS 0 H HIS 0 7.370 9.692 7.910 12 HA HIS 0 HA HIS 0 4.585 10.239 6.942 13 1HB HIS 0 1HB HIS 0 6.675 8.360 5.797 14 2HB HIS 0 2HB HIS 0 5.086 8.596 5.132 15 HD1 HIS 0 HD1 HIS 0 5.003 11.762 4.875 16 HD2 HIS 0 HD2 HIS 0 8.049 9.063 3.761 17 HE1 HIS 0 HE1 HIS 0 6.171 12.783 2.798 18 HE2 HIS 0 HE2 HIS 0 8.056 11.141 2.165 19 H MET 1 H MET 1 3.480 8.059 6.340 20 HA MET 1 HA MET 1 3.690 5.933 8.439 21 1HB MET 1 1HB MET 1 1.390 7.105 6.828 22 2HB MET 1 2HB MET 1 1.375 5.403 7.213 23 1HG MET 1 1HG MET 1 1.687 6.216 9.699 24 2HG MET 1 2HG MET 1 0.997 7.719 9.049 25 1HE MET 1 1HE MET 1 -2.222 6.096 10.657 26 2HE MET 1 2HE MET 1 -0.604 6.562 11.244 27 3HE MET 1 3HE MET 1 -1.536 7.674 10.199 28 H THR 2 H THR 2 4.312 3.904 7.630 29 HA THR 2 HA THR 2 2.938 2.815 5.394 30 HB THR 2 HB THR 2 5.030 1.695 4.430 31 HG1 THR 2 HG1 THR 2 6.837 3.207 4.419 32 1HG2 THR 2 1HG2 THR 2 3.653 3.386 3.169 33 2HG2 THR 2 2HG2 THR 2 4.894 4.590 3.607 34 3HG2 THR 2 3HG2 THR 2 5.334 3.166 2.652 35 H LEU 3 H LEU 3 3.110 0.377 5.458 36 HA LEU 3 HA LEU 3 4.579 -0.758 7.725 37 1HB LEU 3 1HB LEU 3 1.672 -1.541 7.617 38 2HB LEU 3 2HB LEU 3 2.841 -1.696 8.906 39 HG LEU 3 HG LEU 3 2.644 1.036 8.815 40 1HD1 LEU 3 1HD1 LEU 3 0.848 0.793 6.999 41 2HD1 LEU 3 2HD1 LEU 3 -0.182 0.072 8.262 42 3HD1 LEU 3 3HD1 LEU 3 0.400 1.753 8.436 43 1HD2 LEU 3 1HD2 LEU 3 0.650 -0.547 10.392 44 2HD2 LEU 3 2HD2 LEU 3 2.378 -0.400 10.819 45 3HD2 LEU 3 3HD2 LEU 3 1.361 1.031 10.737 46 H ARG 4 H ARG 4 4.099 -3.283 7.770 47 HA ARG 4 HA ARG 4 4.663 -4.281 5.002 48 1HB ARG 4 1HB ARG 4 5.191 -5.587 7.678 49 2HB ARG 4 2HB ARG 4 5.680 -6.235 6.127 50 1HG ARG 4 1HG ARG 4 7.443 -4.779 5.834 51 2HG ARG 4 2HG ARG 4 6.745 -3.503 6.833 52 1HD ARG 4 1HD ARG 4 7.860 -6.131 7.892 53 2HD ARG 4 2HD ARG 4 8.683 -4.559 7.930 54 HE ARG 4 HE ARG 4 6.065 -4.429 9.141 55 1HH1 ARG 4 1HH1 ARG 4 9.347 -5.302 9.970 56 2HH1 ARG 4 2HH1 ARG 4 9.060 -5.136 11.681 57 1HH2 ARG 4 1HH2 ARG 4 5.740 -4.197 11.292 58 2HH2 ARG 4 2HH2 ARG 4 7.038 -4.494 12.406 59 H ILE 5 H ILE 5 3.784 -6.409 4.372 60 HA ILE 5 HA ILE 5 1.079 -6.771 4.721 61 HB ILE 5 HB ILE 5 2.992 -8.072 3.240 62 1HG1 ILE 5 1HG1 ILE 5 0.766 -7.514 2.473 63 2HG1 ILE 5 2HG1 ILE 5 1.171 -9.187 2.112 64 1HG2 ILE 5 1HG2 ILE 5 1.866 -10.296 4.936 65 2HG2 ILE 5 2HG2 ILE 5 2.744 -10.454 3.416 66 3HG2 ILE 5 3HG2 ILE 5 3.560 -9.772 4.825 67 1HD1 ILE 5 1HD1 ILE 5 -0.850 -8.109 4.065 68 2HD1 ILE 5 2HD1 ILE 5 -0.999 -9.328 2.792 69 3HD1 ILE 5 3HD1 ILE 5 -0.179 -9.741 4.298 70 H ARG 6 H ARG 6 3.580 -8.160 6.749 71 HA ARG 6 HA ARG 6 2.031 -9.952 8.304 72 1HB ARG 6 1HB ARG 6 4.407 -8.227 9.168 73 2HB ARG 6 2HB ARG 6 3.720 -9.558 10.097 74 1HG ARG 6 1HG ARG 6 5.096 -10.967 9.031 75 2HG ARG 6 2HG ARG 6 4.125 -10.734 7.595 76 1HD ARG 6 1HD ARG 6 6.110 -10.166 6.656 77 2HD ARG 6 2HD ARG 6 5.742 -8.579 7.305 78 HE ARG 6 HE ARG 6 7.485 -8.816 8.843 79 1HH1 ARG 6 1HH1 ARG 6 6.891 -11.984 7.475 80 2HH1 ARG 6 2HH1 ARG 6 8.346 -12.668 8.140 81 1HH2 ARG 6 1HH2 ARG 6 9.375 -9.736 9.670 82 2HH2 ARG 6 2HH2 ARG 6 9.697 -11.410 9.368 83 H THR 7 H THR 7 2.430 -6.435 8.726 84 HA THR 7 HA THR 7 0.700 -6.194 11.023 85 HB THR 7 HB THR 7 1.486 -4.073 8.986 86 HG1 THR 7 HG1 THR 7 2.718 -4.644 11.442 87 1HG2 THR 7 1HG2 THR 7 1.253 -2.575 10.975 88 2HG2 THR 7 2HG2 THR 7 -0.297 -3.313 10.487 89 3HG2 THR 7 3HG2 THR 7 0.590 -3.937 11.909 90 H ILE 8 H ILE 8 0.203 -5.790 7.497 91 HA ILE 8 HA ILE 8 -2.505 -4.836 7.649 92 HB ILE 8 HB ILE 8 -1.261 -6.420 5.374 93 1HG1 ILE 8 1HG1 ILE 8 -1.133 -3.424 5.872 94 2HG1 ILE 8 2HG1 ILE 8 0.208 -4.526 5.995 95 1HG2 ILE 8 1HG2 ILE 8 -2.900 -5.256 3.960 96 2HG2 ILE 8 2HG2 ILE 8 -3.749 -6.075 5.252 97 3HG2 ILE 8 3HG2 ILE 8 -3.482 -4.324 5.355 98 1HD1 ILE 8 1HD1 ILE 8 -1.221 -3.924 3.390 99 2HD1 ILE 8 2HD1 ILE 8 0.362 -3.361 3.923 100 3HD1 ILE 8 3HD1 ILE 8 0.106 -5.086 3.608 101 H ALA 9 H ALA 9 -1.177 -8.117 7.172 102 HA ALA 9 HA ALA 9 -3.639 -9.544 7.134 103 1HB ALA 9 1HB ALA 9 -1.397 -10.353 6.337 104 2HB ALA 9 2HB ALA 9 -0.870 -10.473 8.029 105 3HB ALA 9 3HB ALA 9 -2.222 -11.462 7.448 106 H ARG 10 H ARG 10 -1.367 -8.807 9.818 107 HA ARG 10 HA ARG 10 -2.583 -10.090 11.960 108 1HB ARG 10 1HB ARG 10 -0.861 -7.658 11.632 109 2HB ARG 10 2HB ARG 10 -1.628 -7.835 13.183 110 1HG ARG 10 1HG ARG 10 -0.079 -10.152 11.971 111 2HG ARG 10 2HG ARG 10 0.727 -8.847 12.863 112 1HD ARG 10 1HD ARG 10 -0.686 -9.251 14.824 113 2HD ARG 10 2HD ARG 10 -1.563 -10.529 13.959 114 HE ARG 10 HE ARG 10 1.208 -11.147 13.907 115 1HH1 ARG 10 1HH1 ARG 10 -1.397 -11.019 16.219 116 2HH1 ARG 10 2HH1 ARG 10 -0.718 -12.239 17.261 117 1HH2 ARG 10 1HH2 ARG 10 2.085 -12.727 15.261 118 2HH2 ARG 10 2HH2 ARG 10 1.238 -13.180 16.707 119 H MET 11 H MET 11 -4.052 -7.450 10.296 120 HA MET 11 HA MET 11 -5.900 -6.527 12.270 121 1HB MET 11 1HB MET 11 -6.300 -7.130 9.307 122 2HB MET 11 2HB MET 11 -7.482 -6.307 10.325 123 1HG MET 11 1HG MET 11 -5.893 -4.475 10.748 124 2HG MET 11 2HG MET 11 -4.688 -5.278 9.732 125 1HE MET 11 1HE MET 11 -5.484 -2.236 9.073 126 2HE MET 11 2HE MET 11 -4.310 -3.278 8.215 127 3HE MET 11 3HE MET 11 -5.574 -2.412 7.298 128 H THR 12 H THR 12 -5.754 -9.624 10.542 129 HA THR 12 HA THR 12 -7.889 -10.718 12.308 130 HB THR 12 HB THR 12 -9.227 -11.644 10.482 131 HG1 THR 12 HG1 THR 12 -7.466 -10.138 8.885 132 1HG2 THR 12 1HG2 THR 12 -10.350 -9.706 9.631 133 2HG2 THR 12 2HG2 THR 12 -9.887 -9.379 11.310 134 3HG2 THR 12 3HG2 THR 12 -8.960 -8.657 9.977 135 H GLY 13 H GLY 13 -5.158 -11.377 10.167 136 1HA GLY 13 1HA GLY 13 -3.936 -13.256 9.780 137 2HA GLY 13 2HA GLY 13 -4.830 -14.112 11.034 138 H ILE 14 H ILE 14 -7.457 -14.007 9.955 139 HA ILE 14 HA ILE 14 -7.501 -16.202 8.258 140 HB ILE 14 HB ILE 14 -9.725 -16.152 8.248 141 1HG1 ILE 14 1HG1 ILE 14 -11.209 -14.077 8.285 142 2HG1 ILE 14 2HG1 ILE 14 -9.813 -13.148 7.763 143 1HG2 ILE 14 1HG2 ILE 14 -8.972 -15.643 10.586 144 2HG2 ILE 14 2HG2 ILE 14 -9.433 -13.947 10.306 145 3HG2 ILE 14 3HG2 ILE 14 -10.651 -15.223 10.237 146 1HD1 ILE 14 1HD1 ILE 14 -11.586 -14.084 6.042 147 2HD1 ILE 14 2HD1 ILE 14 -9.878 -14.171 5.603 148 3HD1 ILE 14 3HD1 ILE 14 -10.717 -15.620 6.215 149 H ARG 15 H ARG 15 -7.294 -12.883 7.322 150 HA ARG 15 HA ARG 15 -7.676 -13.098 4.494 151 1HB ARG 15 1HB ARG 15 -6.019 -11.141 6.137 152 2HB ARG 15 2HB ARG 15 -6.410 -10.930 4.421 153 1HG ARG 15 1HG ARG 15 -8.761 -10.762 4.861 154 2HG ARG 15 2HG ARG 15 -8.569 -11.239 6.540 155 1HD ARG 15 1HD ARG 15 -7.061 -9.184 6.845 156 2HD ARG 15 2HD ARG 15 -7.637 -8.650 5.256 157 HE ARG 15 HE ARG 15 -9.837 -9.353 6.979 158 1HH1 ARG 15 1HH1 ARG 15 -7.485 -6.814 6.616 159 2HH1 ARG 15 2HH1 ARG 15 -8.431 -5.626 7.452 160 1HH2 ARG 15 1HH2 ARG 15 -11.138 -7.777 7.917 161 2HH2 ARG 15 2HH2 ARG 15 -10.547 -6.151 8.068 162 H GLU 16 H GLU 16 -4.868 -14.139 6.409 163 HA GLU 16 HA GLU 16 -2.835 -13.702 4.487 164 1HB GLU 16 1HB GLU 16 -3.137 -15.887 6.581 165 2HB GLU 16 2HB GLU 16 -1.694 -15.670 5.574 166 1HG GLU 16 1HG GLU 16 -1.424 -13.365 6.380 167 2HG GLU 16 2HG GLU 16 -2.861 -13.538 7.399 168 H ALA 17 H ALA 17 -5.106 -16.435 4.737 169 HA ALA 17 HA ALA 17 -4.036 -18.042 2.636 170 1HB ALA 17 1HB ALA 17 -6.906 -17.689 3.620 171 2HB ALA 17 2HB ALA 17 -6.305 -19.040 2.632 172 3HB ALA 17 3HB ALA 17 -5.702 -18.814 4.288 173 H THR 18 H THR 18 -5.922 -15.095 2.530 174 HA THR 18 HA THR 18 -6.545 -15.348 -0.352 175 HB THR 18 HB THR 18 -7.885 -14.185 1.831 176 HG1 THR 18 HG1 THR 18 -8.887 -15.046 0.135 177 1HG2 THR 18 1HG2 THR 18 -8.379 -11.890 0.990 178 2HG2 THR 18 2HG2 THR 18 -6.784 -12.040 1.742 179 3HG2 THR 18 3HG2 THR 18 -6.927 -11.999 -0.018 180 H LEU 19 H LEU 19 -4.640 -13.268 1.842 181 HA LEU 19 HA LEU 19 -3.459 -11.589 -0.128 182 1HB LEU 19 1HB LEU 19 -2.373 -12.533 2.554 183 2HB LEU 19 2HB LEU 19 -1.748 -11.165 1.650 184 HG LEU 19 HG LEU 19 -4.650 -11.239 2.555 185 1HD1 LEU 19 1HD1 LEU 19 -3.836 -11.371 4.670 186 2HD1 LEU 19 2HD1 LEU 19 -2.229 -10.825 4.222 187 3HD1 LEU 19 3HD1 LEU 19 -3.538 -9.641 4.438 188 1HD2 LEU 19 1HD2 LEU 19 -2.964 -8.767 2.209 189 2HD2 LEU 19 2HD2 LEU 19 -3.809 -9.529 0.855 190 3HD2 LEU 19 3HD2 LEU 19 -4.721 -8.966 2.269 191 H ARG 20 H ARG 20 -2.187 -14.625 1.331 192 HA ARG 20 HA ARG 20 0.154 -14.717 -0.400 193 1HB ARG 20 1HB ARG 20 -1.130 -16.889 1.320 194 2HB ARG 20 2HB ARG 20 0.417 -17.002 0.479 195 1HG ARG 20 1HG ARG 20 0.705 -14.621 1.890 196 2HG ARG 20 2HG ARG 20 -0.254 -15.578 3.012 197 1HD ARG 20 1HD ARG 20 2.227 -16.795 1.735 198 2HD ARG 20 2HD ARG 20 2.395 -15.594 3.004 199 HE ARG 20 HE ARG 20 1.730 -17.061 4.593 200 1HH1 ARG 20 1HH1 ARG 20 0.776 -18.539 1.572 201 2HH1 ARG 20 2HH1 ARG 20 0.404 -20.074 2.309 202 1HH2 ARG 20 1HH2 ARG 20 1.294 -19.028 5.496 203 2HH2 ARG 20 2HH2 ARG 20 0.728 -20.339 4.508 204 H ALA 21 H ALA 21 -3.149 -15.939 -0.771 205 HA ALA 21 HA ALA 21 -2.572 -17.463 -3.174 206 1HB ALA 21 1HB ALA 21 -5.114 -16.117 -2.156 207 2HB ALA 21 2HB ALA 21 -5.017 -17.036 -3.673 208 3HB ALA 21 3HB ALA 21 -4.694 -17.843 -2.117 209 H TRP 22 H TRP 22 -3.791 -14.072 -2.670 210 HA TRP 22 HA TRP 22 -3.762 -13.285 -5.335 211 1HB TRP 22 1HB TRP 22 -3.084 -11.525 -3.002 212 2HB TRP 22 2HB TRP 22 -3.604 -11.048 -4.625 213 HD1 TRP 22 HD1 TRP 22 -6.078 -13.252 -4.637 214 HE1 TRP 22 HE1 TRP 22 -8.230 -12.497 -3.450 215 HE3 TRP 22 HE3 TRP 22 -4.127 -9.671 -1.612 216 HZ2 TRP 22 HZ2 TRP 22 -9.030 -10.463 -1.601 217 HZ3 TRP 22 HZ3 TRP 22 -5.600 -8.302 -0.136 218 HH2 TRP 22 HH2 TRP 22 -8.046 -8.687 -0.112 219 H GLU 23 H GLU 23 -0.967 -13.225 -3.122 220 HA GLU 23 HA GLU 23 0.987 -11.987 -4.599 221 1HB GLU 23 1HB GLU 23 0.962 -13.475 -2.374 222 2HB GLU 23 2HB GLU 23 1.636 -14.699 -3.435 223 1HG GLU 23 1HG GLU 23 2.743 -11.890 -2.955 224 2HG GLU 23 2HG GLU 23 3.311 -13.356 -2.160 225 H ARG 24 H ARG 24 -0.072 -15.362 -5.179 226 HA ARG 24 HA ARG 24 1.424 -15.443 -7.759 227 1HB ARG 24 1HB ARG 24 1.670 -17.325 -6.240 228 2HB ARG 24 2HB ARG 24 -0.077 -17.582 -6.187 229 1HG ARG 24 1HG ARG 24 -0.156 -18.345 -8.439 230 2HG ARG 24 2HG ARG 24 1.469 -17.753 -8.807 231 1HD ARG 24 1HD ARG 24 1.036 -19.869 -6.675 232 2HD ARG 24 2HD ARG 24 1.071 -20.301 -8.396 233 HE ARG 24 HE ARG 24 3.336 -18.720 -7.958 234 1HH1 ARG 24 1HH1 ARG 24 2.238 -21.823 -6.798 235 2HH1 ARG 24 2HH1 ARG 24 3.841 -22.506 -6.725 236 1HH2 ARG 24 1HH2 ARG 24 5.386 -19.626 -7.894 237 2HH2 ARG 24 2HH2 ARG 24 5.592 -21.261 -7.347 238 H ARG 25 H ARG 25 -1.841 -15.110 -6.618 239 HA ARG 25 HA ARG 25 -3.121 -15.898 -9.115 240 1HB ARG 25 1HB ARG 25 -3.861 -16.087 -6.623 241 2HB ARG 25 2HB ARG 25 -4.441 -14.436 -6.836 242 1HG ARG 25 1HG ARG 25 -6.058 -15.222 -8.500 243 2HG ARG 25 2HG ARG 25 -5.399 -16.870 -8.380 244 1HD ARG 25 1HD ARG 25 -6.001 -17.089 -6.082 245 2HD ARG 25 2HD ARG 25 -6.314 -15.360 -5.899 246 HE ARG 25 HE ARG 25 -8.172 -16.141 -7.770 247 1HH1 ARG 25 1HH1 ARG 25 -7.465 -17.063 -4.456 248 2HH1 ARG 25 2HH1 ARG 25 -9.125 -17.424 -4.074 249 1HH2 ARG 25 1HH2 ARG 25 -10.306 -16.666 -7.237 250 2HH2 ARG 25 2HH2 ARG 25 -10.699 -17.192 -5.629 251 H TYR 26 H TYR 26 -2.181 -12.774 -7.810 252 HA TYR 26 HA TYR 26 -2.896 -11.436 -10.371 253 1HB TYR 26 1HB TYR 26 -3.858 -10.249 -7.739 254 2HB TYR 26 2HB TYR 26 -4.140 -9.628 -9.354 255 HD1 TYR 26 HD1 TYR 26 -5.158 -11.953 -6.779 256 HD2 TYR 26 HD2 TYR 26 -5.775 -10.829 -10.881 257 HE1 TYR 26 HE1 TYR 26 -7.181 -13.388 -6.872 258 HE2 TYR 26 HE2 TYR 26 -7.855 -12.195 -10.955 259 HH TYR 26 HH TYR 26 -9.406 -13.419 -9.624 260 H GLY 27 H GLY 27 -1.388 -11.143 -7.151 261 1HA GLY 27 1HA GLY 27 0.730 -10.188 -6.758 262 2HA GLY 27 2HA GLY 27 0.509 -9.069 -8.102 263 H PHE 28 H PHE 28 -2.427 -8.743 -6.740 264 HA PHE 28 HA PHE 28 -1.693 -6.364 -5.192 265 1HB PHE 28 1HB PHE 28 -3.611 -6.183 -6.574 266 2HB PHE 28 2HB PHE 28 -4.277 -7.697 -6.001 267 HD1 PHE 28 HD1 PHE 28 -5.321 -7.883 -3.736 268 HD2 PHE 28 HD2 PHE 28 -4.051 -4.090 -5.362 269 HE1 PHE 28 HE1 PHE 28 -6.883 -6.712 -2.221 270 HE2 PHE 28 HE2 PHE 28 -5.584 -2.923 -3.807 271 HZ PHE 28 HZ PHE 28 -7.036 -4.231 -2.274 272 HA PRO 29 HA PRO 29 -1.951 -5.106 -3.361 273 1HB PRO 29 1HB PRO 29 -0.765 -4.737 -0.943 274 2HB PRO 29 2HB PRO 29 -2.520 -4.753 -1.183 275 1HG PRO 29 1HG PRO 29 -0.718 -7.018 -0.209 276 2HG PRO 29 2HG PRO 29 -2.246 -6.478 0.519 277 1HD PRO 29 1HD PRO 29 -2.058 -8.590 -1.211 278 2HD PRO 29 2HD PRO 29 -3.504 -7.539 -1.155 279 H ARG 30 H ARG 30 0.126 -4.178 -3.917 280 HA ARG 30 HA ARG 30 2.165 -6.306 -4.251 281 1HB ARG 30 1HB ARG 30 0.782 -4.908 -6.165 282 2HB ARG 30 2HB ARG 30 2.275 -3.997 -6.109 283 1HG ARG 30 1HG ARG 30 2.615 -6.995 -6.142 284 2HG ARG 30 2HG ARG 30 1.760 -6.334 -7.506 285 1HD ARG 30 1HD ARG 30 4.048 -4.667 -7.227 286 2HD ARG 30 2HD ARG 30 4.608 -6.291 -6.836 287 HE ARG 30 HE ARG 30 4.307 -6.933 -9.034 288 1HH1 ARG 30 1HH1 ARG 30 2.505 -3.989 -8.564 289 2HH1 ARG 30 2HH1 ARG 30 2.015 -3.849 -10.232 290 1HH2 ARG 30 1HH2 ARG 30 3.610 -6.794 -11.176 291 2HH2 ARG 30 2HH2 ARG 30 2.626 -5.455 -11.679 292 HA PRO 31 HA PRO 31 4.217 -3.510 -1.461 293 1HB PRO 31 1HB PRO 31 6.298 -5.009 -0.659 294 2HB PRO 31 2HB PRO 31 4.663 -5.284 -0.142 295 1HG PRO 31 1HG PRO 31 6.130 -6.734 -2.366 296 2HG PRO 31 2HG PRO 31 5.184 -7.462 -1.030 297 1HD PRO 31 1HD PRO 31 4.132 -7.019 -3.526 298 2HD PRO 31 2HD PRO 31 3.135 -6.877 -2.053 299 H LEU 32 H LEU 32 5.867 -2.112 -1.573 300 HA LEU 32 HA LEU 32 6.999 -1.696 -4.231 301 1HB LEU 32 1HB LEU 32 8.053 0.134 -2.241 302 2HB LEU 32 2HB LEU 32 7.121 0.454 -3.684 303 HG LEU 32 HG LEU 32 6.020 -0.114 -0.905 304 1HD1 LEU 32 1HD1 LEU 32 5.358 2.210 -0.930 305 2HD1 LEU 32 2HD1 LEU 32 7.102 2.068 -1.190 306 3HD1 LEU 32 3HD1 LEU 32 6.025 2.419 -2.564 307 1HD2 LEU 32 1HD2 LEU 32 4.163 -0.832 -2.098 308 2HD2 LEU 32 2HD2 LEU 32 3.867 0.898 -2.178 309 3HD2 LEU 32 3HD2 LEU 32 4.610 0.072 -3.560 310 H ARG 33 H ARG 33 9.296 -1.378 -4.640 311 HA ARG 33 HA ARG 33 10.900 -3.473 -3.477 312 1HB ARG 33 1HB ARG 33 11.289 -1.430 -5.628 313 2HB ARG 33 2HB ARG 33 12.751 -1.824 -4.736 314 1HG ARG 33 1HG ARG 33 12.064 -4.325 -5.082 315 2HG ARG 33 2HG ARG 33 11.015 -3.698 -6.360 316 1HD ARG 33 1HD ARG 33 14.027 -3.201 -6.112 317 2HD ARG 33 2HD ARG 33 13.331 -4.494 -7.073 318 HE ARG 33 HE ARG 33 13.487 -1.668 -7.748 319 1HH1 ARG 33 1HH1 ARG 33 11.710 -4.582 -8.474 320 2HH1 ARG 33 2HH1 ARG 33 11.302 -4.085 -10.094 321 1HH2 ARG 33 1HH2 ARG 33 12.968 -1.049 -9.844 322 2HH2 ARG 33 2HH2 ARG 33 12.011 -2.099 -10.840 323 H SER 34 H SER 34 13.070 -3.217 -2.615 324 HA SER 34 HA SER 34 13.462 -1.041 -0.699 325 1HB SER 34 1HB SER 34 13.280 -2.571 1.194 326 2HB SER 34 2HB SER 34 11.755 -2.560 0.303 327 HG SER 34 HG SER 34 13.369 -4.586 0.881 328 H GLU 35 H GLU 35 15.358 -1.749 0.774 329 HA GLU 35 HA GLU 35 17.656 -2.587 -0.835 330 1HB GLU 35 1HB GLU 35 17.159 -0.751 1.236 331 2HB GLU 35 2HB GLU 35 18.032 -2.023 2.061 332 1HG GLU 35 1HG GLU 35 19.044 -0.822 -0.557 333 2HG GLU 35 2HG GLU 35 19.291 0.002 0.980 334 H GLY 36 H GLY 36 19.337 -3.984 0.625 335 1HA GLY 36 1HA GLY 36 18.624 -6.622 0.519 336 2HA GLY 36 2HA GLY 36 19.917 -6.001 1.540 337 H ASN 37 H ASN 37 18.991 -5.023 3.736 338 HA ASN 37 HA ASN 37 17.650 -7.243 5.078 339 1HB ASN 37 1HB ASN 37 18.303 -4.463 6.156 340 2HB ASN 37 2HB ASN 37 17.840 -5.876 7.109 341 1HD2 ASN 37 1HD2 ASN 37 20.367 -4.156 7.086 342 2HD2 ASN 37 2HD2 ASN 37 21.604 -5.407 6.911 343 H ASN 38 H ASN 38 16.606 -4.078 3.932 344 HA ASN 38 HA ASN 38 14.134 -3.964 5.441 345 1HB ASN 38 1HB ASN 38 15.495 -2.018 4.485 346 2HB ASN 38 2HB ASN 38 14.873 -2.446 2.896 347 1HD2 ASN 38 1HD2 ASN 38 11.989 -2.810 3.258 348 2HD2 ASN 38 2HD2 ASN 38 11.536 -1.318 4.068 349 H TYR 39 H TYR 39 12.544 -5.507 5.051 350 HA TYR 39 HA TYR 39 12.257 -6.858 2.555 351 1HB TYR 39 1HB TYR 39 9.833 -6.578 4.273 352 2HB TYR 39 2HB TYR 39 10.543 -8.012 3.542 353 HD1 TYR 39 HD1 TYR 39 12.896 -8.765 4.570 354 HD2 TYR 39 HD2 TYR 39 10.111 -6.129 6.539 355 HE1 TYR 39 HE1 TYR 39 14.116 -9.080 6.698 356 HE2 TYR 39 HE2 TYR 39 11.347 -6.463 8.700 357 HH TYR 39 HH TYR 39 14.366 -8.265 8.853 358 H ARG 40 H ARG 40 10.215 -6.794 1.197 359 HA ARG 40 HA ARG 40 9.757 -4.149 0.128 360 1HB ARG 40 1HB ARG 40 8.311 -6.777 -0.447 361 2HB ARG 40 2HB ARG 40 8.192 -5.266 -1.369 362 1HG ARG 40 1HG ARG 40 10.653 -5.342 -1.767 363 2HG ARG 40 2HG ARG 40 10.656 -6.998 -1.148 364 1HD ARG 40 1HD ARG 40 8.701 -6.182 -3.334 365 2HD ARG 40 2HD ARG 40 10.382 -6.447 -3.751 366 HE ARG 40 HE ARG 40 8.400 -8.469 -3.140 367 1HH1 ARG 40 1HH1 ARG 40 11.844 -7.913 -3.045 368 2HH1 ARG 40 2HH1 ARG 40 12.253 -9.570 -3.393 369 1HH2 ARG 40 1HH2 ARG 40 8.946 -10.612 -3.596 370 2HH2 ARG 40 2HH2 ARG 40 10.618 -11.064 -3.676 371 H VAL 41 H VAL 41 8.493 -2.647 0.930 372 HA VAL 41 HA VAL 41 6.534 -3.254 3.086 373 HB VAL 41 HB VAL 41 7.627 -0.536 2.244 374 1HG1 VAL 41 1HG1 VAL 41 7.092 0.084 4.622 375 2HG1 VAL 41 2HG1 VAL 41 5.665 -0.291 3.691 376 3HG1 VAL 41 3HG1 VAL 41 6.318 -1.498 4.830 377 1HG2 VAL 41 1HG2 VAL 41 8.691 -2.482 4.340 378 2HG2 VAL 41 2HG2 VAL 41 9.553 -1.836 2.917 379 3HG2 VAL 41 3HG2 VAL 41 9.143 -0.761 4.256 380 H TYR 42 H TYR 42 4.462 -1.746 3.102 381 HA TYR 42 HA TYR 42 3.318 -1.681 0.336 382 1HB TYR 42 1HB TYR 42 2.091 -2.357 3.021 383 2HB TYR 42 2HB TYR 42 1.163 -2.131 1.548 384 HD1 TYR 42 HD1 TYR 42 0.944 -3.831 -0.059 385 HD2 TYR 42 HD2 TYR 42 3.856 -4.232 3.051 386 HE1 TYR 42 HE1 TYR 42 1.283 -6.246 -0.664 387 HE2 TYR 42 HE2 TYR 42 4.303 -6.585 2.355 388 HH TYR 42 HH TYR 42 3.651 -8.325 0.940 389 H SER 43 H SER 43 1.684 -0.149 -0.090 390 HA SER 43 HA SER 43 1.971 2.421 1.342 391 1HB SER 43 1HB SER 43 0.755 1.594 -1.310 392 2HB SER 43 2HB SER 43 0.500 3.195 -0.591 393 HG SER 43 HG SER 43 2.250 3.139 -2.024 394 H ARG 44 H ARG 44 0.166 3.663 1.874 395 HA ARG 44 HA ARG 44 -1.863 2.336 3.375 396 1HB ARG 44 1HB ARG 44 -0.737 4.880 3.259 397 2HB ARG 44 2HB ARG 44 -2.363 5.191 2.676 398 1HG ARG 44 1HG ARG 44 -1.841 3.586 5.221 399 2HG ARG 44 2HG ARG 44 -1.787 5.347 5.220 400 1HD ARG 44 1HD ARG 44 -4.089 5.466 4.381 401 2HD ARG 44 2HD ARG 44 -4.204 3.693 4.383 402 HE ARG 44 HE ARG 44 -3.386 4.319 6.948 403 1HH1 ARG 44 1HH1 ARG 44 -6.144 5.320 5.045 404 2HH1 ARG 44 2HH1 ARG 44 -7.132 5.670 6.439 405 1HH2 ARG 44 1HH2 ARG 44 -4.669 4.719 8.721 406 2HH2 ARG 44 2HH2 ARG 44 -6.288 5.308 8.509 407 H GLU 45 H GLU 45 -1.914 3.683 0.131 408 HA GLU 45 HA GLU 45 -4.678 3.387 -0.490 409 1HB GLU 45 1HB GLU 45 -3.852 3.238 -2.861 410 2HB GLU 45 2HB GLU 45 -3.439 4.699 -1.963 411 1HG GLU 45 1HG GLU 45 -1.190 3.992 -1.601 412 2HG GLU 45 2HG GLU 45 -1.487 2.384 -2.257 413 H GLU 46 H GLU 46 -1.966 0.979 -1.119 414 HA GLU 46 HA GLU 46 -3.687 -1.165 -1.753 415 1HB GLU 46 1HB GLU 46 -0.903 -1.016 -0.569 416 2HB GLU 46 2HB GLU 46 -1.806 -2.499 -0.396 417 1HG GLU 46 1HG GLU 46 -0.716 -2.963 -2.313 418 2HG GLU 46 2HG GLU 46 -2.259 -2.402 -2.942 419 H VAL 47 H VAL 47 -2.548 -0.153 1.523 420 HA VAL 47 HA VAL 47 -3.900 -2.191 2.939 421 HB VAL 47 HB VAL 47 -3.210 0.633 3.828 422 1HG1 VAL 47 1HG1 VAL 47 -5.053 -0.024 5.273 423 2HG1 VAL 47 2HG1 VAL 47 -4.376 -1.658 5.463 424 3HG1 VAL 47 3HG1 VAL 47 -3.548 -0.248 6.167 425 1HG2 VAL 47 1HG2 VAL 47 -1.446 -0.566 5.075 426 2HG2 VAL 47 2HG2 VAL 47 -2.108 -2.108 4.483 427 3HG2 VAL 47 3HG2 VAL 47 -1.341 -0.984 3.351 428 H GLU 48 H GLU 48 -5.304 1.092 2.238 429 HA GLU 48 HA GLU 48 -7.804 0.371 3.468 430 1HB GLU 48 1HB GLU 48 -8.719 2.379 2.516 431 2HB GLU 48 2HB GLU 48 -7.123 2.665 3.207 432 1HG GLU 48 1HG GLU 48 -6.196 2.502 0.835 433 2HG GLU 48 2HG GLU 48 -7.859 2.477 0.256 434 H ALA 49 H ALA 49 -6.745 0.140 0.041 435 HA ALA 49 HA ALA 49 -9.191 -0.859 -1.014 436 1HB ALA 49 1HB ALA 49 -7.754 -1.799 -2.788 437 2HB ALA 49 2HB ALA 49 -7.314 -0.118 -2.410 438 3HB ALA 49 3HB ALA 49 -6.307 -1.452 -1.817 439 H VAL 50 H VAL 50 -6.345 -2.695 0.218 440 HA VAL 50 HA VAL 50 -7.403 -5.313 0.039 441 HB VAL 50 HB VAL 50 -5.391 -4.089 1.957 442 1HG1 VAL 50 1HG1 VAL 50 -6.079 -6.067 3.121 443 2HG1 VAL 50 2HG1 VAL 50 -6.163 -7.007 1.615 444 3HG1 VAL 50 3HG1 VAL 50 -4.587 -6.485 2.264 445 1HG2 VAL 50 1HG2 VAL 50 -3.767 -4.911 0.558 446 2HG2 VAL 50 2HG2 VAL 50 -4.874 -6.009 -0.330 447 3HG2 VAL 50 3HG2 VAL 50 -4.928 -4.267 -0.595 448 H ARG 51 H ARG 51 -7.583 -2.995 2.765 449 HA ARG 51 HA ARG 51 -8.957 -4.734 4.547 450 1HB ARG 51 1HB ARG 51 -7.793 -2.442 4.949 451 2HB ARG 51 2HB ARG 51 -9.346 -1.714 4.504 452 1HG ARG 51 1HG ARG 51 -10.397 -3.103 6.366 453 2HG ARG 51 2HG ARG 51 -8.784 -3.736 6.718 454 1HD ARG 51 1HD ARG 51 -8.893 -2.052 8.270 455 2HD ARG 51 2HD ARG 51 -8.089 -1.206 6.937 456 HE ARG 51 HE ARG 51 -10.858 -0.848 6.575 457 1HH1 ARG 51 1HH1 ARG 51 -8.497 0.122 8.955 458 2HH1 ARG 51 2HH1 ARG 51 -9.488 1.404 9.599 459 1HH2 ARG 51 1HH2 ARG 51 -12.125 0.799 7.424 460 2HH2 ARG 51 2HH2 ARG 51 -11.511 1.778 8.717 461 H ARG 52 H ARG 52 -10.284 -2.405 2.171 462 HA ARG 52 HA ARG 52 -13.075 -3.113 2.532 463 1HB ARG 52 1HB ARG 52 -11.456 -1.675 0.446 464 2HB ARG 52 2HB ARG 52 -12.974 -2.394 -0.096 465 1HG ARG 52 1HG ARG 52 -14.235 -1.189 1.622 466 2HG ARG 52 2HG ARG 52 -12.732 -0.532 2.293 467 1HD ARG 52 1HD ARG 52 -13.634 1.211 0.988 468 2HD ARG 52 2HD ARG 52 -12.302 0.543 0.029 469 HE ARG 52 HE ARG 52 -14.883 -0.648 -0.622 470 1HH1 ARG 52 1HH1 ARG 52 -12.857 2.115 -1.350 471 2HH1 ARG 52 2HH1 ARG 52 -13.656 2.439 -2.864 472 1HH2 ARG 52 1HH2 ARG 52 -15.950 -0.129 -2.548 473 2HH2 ARG 52 2HH2 ARG 52 -15.380 1.211 -3.491 474 H VAL 53 H VAL 53 -10.767 -4.218 0.039 475 HA VAL 53 HA VAL 53 -12.353 -6.140 -1.220 476 HB VAL 53 HB VAL 53 -9.347 -6.164 -0.775 477 1HG1 VAL 53 1HG1 VAL 53 -11.039 -7.877 -2.625 478 2HG1 VAL 53 2HG1 VAL 53 -9.274 -7.690 -2.755 479 3HG1 VAL 53 3HG1 VAL 53 -9.984 -8.399 -1.312 480 1HG2 VAL 53 1HG2 VAL 53 -9.391 -4.468 -2.271 481 2HG2 VAL 53 2HG2 VAL 53 -9.886 -5.630 -3.481 482 3HG2 VAL 53 3HG2 VAL 53 -11.107 -4.682 -2.616 483 H ALA 54 H ALA 54 -10.099 -6.851 1.529 484 HA ALA 54 HA ALA 54 -10.822 -9.528 1.941 485 1HB ALA 54 1HB ALA 54 -10.039 -9.084 4.262 486 2HB ALA 54 2HB ALA 54 -8.909 -8.506 3.011 487 3HB ALA 54 3HB ALA 54 -9.950 -7.354 3.888 488 H ARG 55 H ARG 55 -12.411 -6.596 3.374 489 HA ARG 55 HA ARG 55 -14.325 -8.186 4.864 490 1HB ARG 55 1HB ARG 55 -13.710 -5.391 4.636 491 2HB ARG 55 2HB ARG 55 -15.366 -5.562 4.097 492 1HG ARG 55 1HG ARG 55 -15.318 -7.149 6.427 493 2HG ARG 55 2HG ARG 55 -14.175 -5.857 6.793 494 1HD ARG 55 1HD ARG 55 -16.236 -5.026 7.538 495 2HD ARG 55 2HD ARG 55 -16.035 -4.246 5.960 496 HE ARG 55 HE ARG 55 -17.483 -6.770 5.709 497 1HH1 ARG 55 1HH1 ARG 55 -17.998 -3.491 6.700 498 2HH1 ARG 55 2HH1 ARG 55 -19.726 -3.562 6.492 499 1HH2 ARG 55 1HH2 ARG 55 -19.776 -6.775 5.137 500 2HH2 ARG 55 2HH2 ARG 55 -20.665 -5.483 5.804 501 H LEU 56 H LEU 56 -14.353 -6.802 1.621 502 HA LEU 56 HA LEU 56 -17.003 -7.594 0.883 503 1HB LEU 56 1HB LEU 56 -14.627 -6.434 -0.378 504 2HB LEU 56 2HB LEU 56 -15.222 -7.721 -1.352 505 HG LEU 56 HG LEU 56 -16.170 -5.857 -2.265 506 1HD1 LEU 56 1HD1 LEU 56 -18.513 -6.043 -2.115 507 2HD1 LEU 56 2HD1 LEU 56 -17.901 -7.664 -1.737 508 3HD1 LEU 56 3HD1 LEU 56 -18.470 -6.593 -0.437 509 1HD2 LEU 56 1HD2 LEU 56 -16.933 -4.854 0.499 510 2HD2 LEU 56 2HD2 LEU 56 -15.608 -4.253 -0.526 511 3HD2 LEU 56 3HD2 LEU 56 -17.291 -4.049 -1.050 512 H ILE 57 H ILE 57 -13.864 -9.339 0.613 513 HA ILE 57 HA ILE 57 -14.857 -11.744 -0.531 514 HB ILE 57 HB ILE 57 -12.477 -11.144 1.225 515 1HG1 ILE 57 1HG1 ILE 57 -11.362 -12.404 -0.730 516 2HG1 ILE 57 2HG1 ILE 57 -12.918 -12.287 -1.566 517 1HG2 ILE 57 1HG2 ILE 57 -13.326 -13.987 0.541 518 2HG2 ILE 57 2HG2 ILE 57 -11.730 -13.503 1.153 519 3HG2 ILE 57 3HG2 ILE 57 -13.141 -13.294 2.171 520 1HD1 ILE 57 1HD1 ILE 57 -12.751 -9.846 -1.510 521 2HD1 ILE 57 2HD1 ILE 57 -11.280 -9.983 -0.490 522 3HD1 ILE 57 3HD1 ILE 57 -11.256 -10.524 -2.162 523 H GLN 58 H GLN 58 -14.900 -10.743 2.903 524 HA GLN 58 HA GLN 58 -16.046 -13.158 3.887 525 1HB GLN 58 1HB GLN 58 -15.597 -10.420 4.891 526 2HB GLN 58 2HB GLN 58 -17.091 -11.104 5.509 527 1HG GLN 58 1HG GLN 58 -14.311 -12.323 5.742 528 2HG GLN 58 2HG GLN 58 -15.237 -11.527 7.021 529 1HE2 GLN 58 1HE2 GLN 58 -14.587 -14.621 5.546 530 2HE2 GLN 58 2HE2 GLN 58 -15.936 -15.409 6.383 531 H GLU 59 H GLU 59 -17.598 -10.784 1.860 532 HA GLU 59 HA GLU 59 -20.312 -11.534 2.715 533 1HB GLU 59 1HB GLU 59 -19.527 -10.004 0.240 534 2HB GLU 59 2HB GLU 59 -21.067 -9.951 1.066 535 1HG GLU 59 1HG GLU 59 -18.542 -8.917 2.459 536 2HG GLU 59 2HG GLU 59 -19.259 -8.000 1.157 537 H GLU 60 H GLU 60 -17.979 -12.579 0.297 538 HA GLU 60 HA GLU 60 -19.671 -14.774 -0.645 539 1HB GLU 60 1HB GLU 60 -19.779 -12.243 -2.097 540 2HB GLU 60 2HB GLU 60 -19.045 -13.455 -3.127 541 1HG GLU 60 1HG GLU 60 -21.652 -14.001 -1.652 542 2HG GLU 60 2HG GLU 60 -21.602 -13.162 -3.199 543 H GLY 61 H GLY 61 -16.803 -12.817 -1.505 544 1HA GLY 61 1HA GLY 61 -14.581 -13.779 -1.429 545 2HA GLY 61 2HA GLY 61 -15.228 -15.340 -1.888 546 H LEU 62 H LEU 62 -16.888 -14.083 -4.073 547 HA LEU 62 HA LEU 62 -15.268 -14.115 -6.376 548 1HB LEU 62 1HB LEU 62 -17.563 -14.233 -6.706 549 2HB LEU 62 2HB LEU 62 -17.908 -12.907 -5.607 550 HG LEU 62 HG LEU 62 -17.205 -11.254 -7.236 551 1HD1 LEU 62 1HD1 LEU 62 -16.947 -12.031 -9.674 552 2HD1 LEU 62 2HD1 LEU 62 -15.538 -12.245 -8.652 553 3HD1 LEU 62 3HD1 LEU 62 -16.574 -13.644 -9.020 554 1HD2 LEU 62 1HD2 LEU 62 -19.078 -11.498 -8.730 555 2HD2 LEU 62 2HD2 LEU 62 -19.130 -13.263 -8.466 556 3HD2 LEU 62 3HD2 LEU 62 -19.540 -12.136 -7.150 557 H SER 63 H SER 63 -15.989 -11.361 -4.240 558 HA SER 63 HA SER 63 -14.634 -9.308 -5.500 559 1HB SER 63 1HB SER 63 -14.877 -9.899 -2.543 560 2HB SER 63 2HB SER 63 -14.374 -8.346 -3.246 561 HG SER 63 HG SER 63 -16.416 -8.294 -4.341 562 H VAL 64 H VAL 64 -12.993 -12.160 -4.322 563 HA VAL 64 HA VAL 64 -10.341 -11.013 -4.128 564 HB VAL 64 HB VAL 64 -11.376 -13.712 -5.078 565 1HG1 VAL 64 1HG1 VAL 64 -8.643 -12.544 -5.403 566 2HG1 VAL 64 2HG1 VAL 64 -8.771 -14.252 -4.930 567 3HG1 VAL 64 3HG1 VAL 64 -9.539 -13.679 -6.409 568 1HG2 VAL 64 1HG2 VAL 64 -11.433 -13.599 -2.730 569 2HG2 VAL 64 2HG2 VAL 64 -9.942 -14.455 -3.069 570 3HG2 VAL 64 3HG2 VAL 64 -9.888 -12.737 -2.608 571 H SER 65 H SER 65 -12.020 -12.394 -6.988 572 HA SER 65 HA SER 65 -10.062 -11.116 -8.777 573 1HB SER 65 1HB SER 65 -11.846 -13.277 -9.020 574 2HB SER 65 2HB SER 65 -12.552 -12.022 -10.063 575 HG SER 65 HG SER 65 -10.853 -12.187 -11.346 576 H GLU 66 H GLU 66 -13.457 -10.578 -7.777 577 HA GLU 66 HA GLU 66 -13.887 -8.476 -9.639 578 1HB GLU 66 1HB GLU 66 -15.467 -9.809 -7.645 579 2HB GLU 66 2HB GLU 66 -15.576 -8.080 -7.324 580 1HG GLU 66 1HG GLU 66 -15.930 -7.914 -9.950 581 2HG GLU 66 2HG GLU 66 -16.390 -9.618 -9.799 582 H ALA 67 H ALA 67 -13.046 -8.109 -6.063 583 HA ALA 67 HA ALA 67 -13.232 -5.244 -6.446 584 1HB ALA 67 1HB ALA 67 -13.914 -6.351 -4.353 585 2HB ALA 67 2HB ALA 67 -12.196 -6.687 -4.024 586 3HB ALA 67 3HB ALA 67 -12.774 -5.016 -4.153 587 H ILE 68 H ILE 68 -10.618 -7.621 -6.616 588 HA ILE 68 HA ILE 68 -8.471 -5.664 -6.774 589 HB ILE 68 HB ILE 68 -8.660 -8.501 -7.853 590 1HG1 ILE 68 1HG1 ILE 68 -7.145 -7.208 -5.543 591 2HG1 ILE 68 2HG1 ILE 68 -8.611 -8.144 -5.345 592 1HG2 ILE 68 1HG2 ILE 68 -7.091 -7.206 -9.274 593 2HG2 ILE 68 2HG2 ILE 68 -6.264 -6.600 -7.822 594 3HG2 ILE 68 3HG2 ILE 68 -6.210 -8.322 -8.258 595 1HD1 ILE 68 1HD1 ILE 68 -5.916 -9.233 -6.249 596 2HD1 ILE 68 2HD1 ILE 68 -6.765 -9.528 -4.733 597 3HD1 ILE 68 3HD1 ILE 68 -7.424 -10.166 -6.248 598 H ALA 69 H ALA 69 -10.404 -7.377 -9.381 599 HA ALA 69 HA ALA 69 -9.316 -5.833 -11.484 600 1HB ALA 69 1HB ALA 69 -12.070 -7.116 -11.273 601 2HB ALA 69 2HB ALA 69 -11.277 -6.567 -12.769 602 3HB ALA 69 3HB ALA 69 -10.576 -7.904 -11.838 603 H GLN 70 H GLN 70 -12.199 -5.146 -9.448 604 HA GLN 70 HA GLN 70 -12.934 -2.655 -10.581 605 1HB GLN 70 1HB GLN 70 -13.173 -3.711 -7.778 606 2HB GLN 70 2HB GLN 70 -13.805 -2.147 -8.257 607 1HG GLN 70 1HG GLN 70 -15.394 -3.075 -9.762 608 2HG GLN 70 2HG GLN 70 -14.651 -4.674 -9.729 609 1HE2 GLN 70 1HE2 GLN 70 -16.948 -5.691 -8.970 610 2HE2 GLN 70 2HE2 GLN 70 -17.254 -5.298 -7.311 611 H VAL 71 H VAL 71 -10.782 -3.069 -7.587 612 HA VAL 71 HA VAL 71 -10.178 -0.298 -7.660 613 HB VAL 71 HB VAL 71 -9.886 -1.957 -5.725 614 1HG1 VAL 71 1HG1 VAL 71 -7.685 -2.814 -5.285 615 2HG1 VAL 71 2HG1 VAL 71 -8.201 -3.445 -6.850 616 3HG1 VAL 71 3HG1 VAL 71 -7.028 -2.112 -6.775 617 1HG2 VAL 71 1HG2 VAL 71 -7.833 0.233 -6.219 618 2HG2 VAL 71 2HG2 VAL 71 -9.474 0.437 -5.566 619 3HG2 VAL 71 3HG2 VAL 71 -8.260 -0.464 -4.647 620 H LYS 72 H LYS 72 -8.643 -2.913 -9.451 621 HA LYS 72 HA LYS 72 -6.440 -1.235 -10.419 622 1HB LYS 72 1HB LYS 72 -7.535 -3.926 -11.339 623 2HB LYS 72 2HB LYS 72 -6.129 -3.150 -12.044 624 1HG LYS 72 1HG LYS 72 -5.813 -3.274 -9.123 625 2HG LYS 72 2HG LYS 72 -6.230 -4.860 -9.769 626 1HD LYS 72 1HD LYS 72 -3.858 -4.750 -9.779 627 2HD LYS 72 2HD LYS 72 -4.392 -4.623 -11.458 628 1HE LYS 72 1HE LYS 72 -4.343 -1.963 -10.713 629 2HE LYS 72 2HE LYS 72 -3.079 -2.608 -9.661 630 1HZ LYS 72 1HZ LYS 72 -2.055 -3.553 -11.694 631 2HZ LYS 72 2HZ LYS 72 -3.203 -2.813 -12.612 632 3HZ LYS 72 3HZ LYS 72 -2.144 -1.905 -11.746 633 H THR 73 H THR 73 -9.684 -2.006 -11.690 634 HA THR 73 HA THR 73 -9.116 -0.444 -14.137 635 HB THR 73 HB THR 73 -10.424 -2.627 -14.148 636 HG1 THR 73 HG1 THR 73 -11.349 -0.204 -15.242 637 1HG2 THR 73 1HG2 THR 73 -12.089 -1.710 -12.283 638 2HG2 THR 73 2HG2 THR 73 -12.897 -0.949 -13.658 639 3HG2 THR 73 3HG2 THR 73 -12.683 -2.718 -13.614 640 H GLU 74 H GLU 74 -10.410 0.206 -11.020 641 HA GLU 74 HA GLU 74 -12.155 2.316 -11.488 642 1HB GLU 74 1HB GLU 74 -10.440 1.430 -9.221 643 2HB GLU 74 2HB GLU 74 -10.835 3.146 -9.223 644 1HG GLU 74 1HG GLU 74 -13.251 2.605 -9.468 645 2HG GLU 74 2HG GLU 74 -12.873 0.889 -9.329 646 HA PRO 75 HA PRO 75 -9.220 5.077 -13.439 647 1HB PRO 75 1HB PRO 75 -10.848 7.259 -13.869 648 2HB PRO 75 2HB PRO 75 -10.909 5.758 -14.845 649 1HG PRO 75 1HG PRO 75 -12.682 6.545 -12.516 650 2HG PRO 75 2HG PRO 75 -13.166 5.859 -14.105 651 1HD PRO 75 1HD PRO 75 -12.887 4.337 -11.852 652 2HD PRO 75 2HD PRO 75 -12.490 3.697 -13.478 653 HA PRO 76 HA PRO 76 -7.895 7.388 -9.863 654 1HB PRO 76 1HB PRO 76 -6.046 9.106 -10.920 655 2HB PRO 76 2HB PRO 76 -5.785 7.337 -10.820 656 1HG PRO 76 1HG PRO 76 -6.787 8.936 -13.200 657 2HG PRO 76 2HG PRO 76 -5.474 7.711 -13.164 658 1HD PRO 76 1HD PRO 76 -8.017 7.088 -13.930 659 2HD PRO 76 2HD PRO 76 -7.019 5.931 -12.993 660 H ARG 77 H ARG 77 -8.207 9.338 -8.790 661 HA ARG 77 HA ARG 77 -9.643 11.604 -9.991 662 1HB ARG 77 1HB ARG 77 -11.708 11.088 -8.609 663 2HB ARG 77 2HB ARG 77 -11.477 10.147 -10.080 664 1HG ARG 77 1HG ARG 77 -10.758 8.186 -8.846 665 2HG ARG 77 2HG ARG 77 -10.634 9.093 -7.354 666 1HD ARG 77 1HD ARG 77 -13.275 9.558 -8.016 667 2HD ARG 77 2HD ARG 77 -13.019 7.967 -8.735 668 HE ARG 77 HE ARG 77 -12.988 7.060 -6.618 669 1HH1 ARG 77 1HH1 ARG 77 -12.020 10.421 -6.223 670 2HH1 ARG 77 2HH1 ARG 77 -12.253 10.418 -4.509 671 1HH2 ARG 77 1HH2 ARG 77 -13.109 7.048 -4.381 672 2HH2 ARG 77 2HH2 ARG 77 -12.794 8.505 -3.479 673 H GLU 78 H GLU 78 -7.936 12.687 -9.032 674 HA GLU 78 HA GLU 78 -7.519 12.794 -6.142 675 1HB GLU 78 1HB GLU 78 -5.821 13.036 -8.123 676 2HB GLU 78 2HB GLU 78 -6.387 14.705 -8.214 677 1HG GLU 78 1HG GLU 78 -5.528 15.196 -6.027 678 2HG GLU 78 2HG GLU 78 -5.428 13.484 -5.596 Start of MODEL 5 1 1H GLY -2 1H GLY -2 11.077 15.756 9.624 2 2H GLY -2 2H GLY -2 12.620 15.280 9.995 3 3H GLY -2 3H GLY -2 11.818 14.595 8.735 4 1HA GLY -2 1HA GLY -2 11.689 12.947 10.227 5 2HA GLY -2 2HA GLY -2 11.219 14.062 11.552 6 H SER -1 H SER -1 10.063 11.846 9.365 7 HA SER -1 HA SER -1 7.322 12.593 9.845 8 1HB SER -1 1HB SER -1 8.420 12.852 7.037 9 2HB SER -1 2HB SER -1 6.684 12.539 7.332 10 HG SER -1 HG SER -1 7.910 14.585 8.769 11 H HIS 0 H HIS 0 8.279 10.629 7.009 12 HA HIS 0 HA HIS 0 5.739 9.592 7.299 13 1HB HIS 0 1HB HIS 0 7.820 8.450 5.376 14 2HB HIS 0 2HB HIS 0 6.079 8.337 5.231 15 HD1 HIS 0 HD1 HIS 0 8.258 9.861 3.173 16 HD2 HIS 0 HD2 HIS 0 5.195 11.346 5.666 17 HE1 HIS 0 HE1 HIS 0 7.641 12.203 2.259 18 HE2 HIS 0 HE2 HIS 0 5.774 13.096 3.789 19 H MET 1 H MET 1 4.911 7.445 6.965 20 HA MET 1 HA MET 1 6.254 5.209 8.400 21 1HB MET 1 1HB MET 1 3.519 6.424 8.727 22 2HB MET 1 2HB MET 1 3.566 4.673 8.663 23 1HG MET 1 1HG MET 1 5.173 4.581 10.496 24 2HG MET 1 2HG MET 1 5.130 6.348 10.643 25 1HE MET 1 1HE MET 1 3.087 4.501 13.697 26 2HE MET 1 2HE MET 1 4.383 3.759 12.737 27 3HE MET 1 3HE MET 1 4.565 5.425 13.347 28 H THR 2 H THR 2 5.357 3.048 7.776 29 HA THR 2 HA THR 2 3.947 2.695 5.219 30 HB THR 2 HB THR 2 5.609 0.967 4.489 31 HG1 THR 2 HG1 THR 2 6.559 1.061 6.759 32 1HG2 THR 2 1HG2 THR 2 5.677 3.229 3.472 33 2HG2 THR 2 2HG2 THR 2 6.876 3.724 4.689 34 3HG2 THR 2 3HG2 THR 2 7.272 2.446 3.526 35 H LEU 3 H LEU 3 3.149 0.367 5.016 36 HA LEU 3 HA LEU 3 3.279 -1.119 7.605 37 1HB LEU 3 1HB LEU 3 0.852 -0.620 5.832 38 2HB LEU 3 2HB LEU 3 0.938 -1.920 6.992 39 HG LEU 3 HG LEU 3 -0.287 -0.336 8.069 40 1HD1 LEU 3 1HD1 LEU 3 2.432 0.345 9.228 41 2HD1 LEU 3 2HD1 LEU 3 0.870 0.215 10.053 42 3HD1 LEU 3 3HD1 LEU 3 1.678 -1.241 9.441 43 1HD2 LEU 3 1HD2 LEU 3 0.135 2.003 8.336 44 2HD2 LEU 3 2HD2 LEU 3 1.694 1.890 7.508 45 3HD2 LEU 3 3HD2 LEU 3 0.183 1.613 6.609 46 H ARG 4 H ARG 4 2.991 -3.370 7.516 47 HA ARG 4 HA ARG 4 4.258 -4.533 5.073 48 1HB ARG 4 1HB ARG 4 4.282 -5.903 7.762 49 2HB ARG 4 2HB ARG 4 5.423 -6.021 6.419 50 1HG ARG 4 1HG ARG 4 6.149 -3.626 6.997 51 2HG ARG 4 2HG ARG 4 5.147 -3.742 8.432 52 1HD ARG 4 1HD ARG 4 6.935 -6.073 8.200 53 2HD ARG 4 2HD ARG 4 7.830 -4.568 8.089 54 HE ARG 4 HE ARG 4 7.325 -4.017 10.271 55 1HH1 ARG 4 1HH1 ARG 4 5.541 -6.902 9.494 56 2HH1 ARG 4 2HH1 ARG 4 5.080 -7.211 11.155 57 1HH2 ARG 4 1HH2 ARG 4 6.738 -4.430 12.382 58 2HH2 ARG 4 2HH2 ARG 4 5.761 -5.810 12.759 59 H ILE 5 H ILE 5 3.814 -6.858 4.641 60 HA ILE 5 HA ILE 5 1.151 -7.513 4.178 61 HB ILE 5 HB ILE 5 3.297 -8.569 3.288 62 1HG1 ILE 5 1HG1 ILE 5 1.209 -9.289 2.423 63 2HG1 ILE 5 2HG1 ILE 5 2.275 -10.660 2.644 64 1HG2 ILE 5 1HG2 ILE 5 3.052 -10.517 5.591 65 2HG2 ILE 5 2HG2 ILE 5 4.141 -10.602 4.206 66 3HG2 ILE 5 3HG2 ILE 5 4.333 -9.291 5.369 67 1HD1 ILE 5 1HD1 ILE 5 -0.238 -9.977 4.179 68 2HD1 ILE 5 2HD1 ILE 5 0.169 -11.444 3.285 69 3HD1 ILE 5 3HD1 ILE 5 0.961 -11.120 4.835 70 H ARG 6 H ARG 6 3.048 -8.578 6.964 71 HA ARG 6 HA ARG 6 1.174 -9.912 8.503 72 1HB ARG 6 1HB ARG 6 3.747 -8.621 8.932 73 2HB ARG 6 2HB ARG 6 2.695 -8.161 10.241 74 1HG ARG 6 1HG ARG 6 3.363 -10.011 11.241 75 2HG ARG 6 2HG ARG 6 2.222 -10.876 10.217 76 1HD ARG 6 1HD ARG 6 3.965 -11.554 8.699 77 2HD ARG 6 2HD ARG 6 5.104 -10.361 9.366 78 HE ARG 6 HE ARG 6 4.316 -12.123 11.447 79 1HH1 ARG 6 1HH1 ARG 6 6.231 -12.350 8.534 80 2HH1 ARG 6 2HH1 ARG 6 7.369 -13.471 9.229 81 1HH2 ARG 6 1HH2 ARG 6 5.809 -13.554 12.322 82 2HH2 ARG 6 2HH2 ARG 6 7.112 -14.139 11.338 83 H THR 7 H THR 7 1.348 -6.379 8.083 84 HA THR 7 HA THR 7 -0.567 -5.822 10.264 85 HB THR 7 HB THR 7 0.504 -3.967 8.103 86 HG1 THR 7 HG1 THR 7 1.714 -5.056 10.048 87 1HG2 THR 7 1HG2 THR 7 -1.564 -3.049 8.952 88 2HG2 THR 7 2HG2 THR 7 -1.169 -3.510 10.622 89 3HG2 THR 7 3HG2 THR 7 -0.267 -2.221 9.814 90 H ILE 8 H ILE 8 -0.608 -5.969 6.669 91 HA ILE 8 HA ILE 8 -3.417 -5.315 6.457 92 HB ILE 8 HB ILE 8 -1.787 -7.042 4.550 93 1HG1 ILE 8 1HG1 ILE 8 -2.077 -4.015 4.753 94 2HG1 ILE 8 2HG1 ILE 8 -0.589 -4.963 4.773 95 1HG2 ILE 8 1HG2 ILE 8 -4.320 -7.086 4.316 96 2HG2 ILE 8 2HG2 ILE 8 -4.272 -5.326 4.083 97 3HG2 ILE 8 3HG2 ILE 8 -3.464 -6.423 2.939 98 1HD1 ILE 8 1HD1 ILE 8 -1.039 -5.626 2.378 99 2HD1 ILE 8 2HD1 ILE 8 -2.393 -4.463 2.376 100 3HD1 ILE 8 3HD1 ILE 8 -0.753 -3.894 2.648 101 H ALA 9 H ALA 9 -1.678 -8.455 6.685 102 HA ALA 9 HA ALA 9 -3.916 -10.167 6.752 103 1HB ALA 9 1HB ALA 9 -1.199 -10.400 8.114 104 2HB ALA 9 2HB ALA 9 -2.371 -11.711 7.920 105 3HB ALA 9 3HB ALA 9 -1.642 -10.950 6.482 106 H ARG 10 H ARG 10 -2.300 -8.562 9.550 107 HA ARG 10 HA ARG 10 -3.830 -9.499 11.681 108 1HB ARG 10 1HB ARG 10 -2.350 -6.940 11.140 109 2HB ARG 10 2HB ARG 10 -3.454 -6.958 12.497 110 1HG ARG 10 1HG ARG 10 -2.265 -8.983 13.408 111 2HG ARG 10 2HG ARG 10 -1.042 -8.771 12.137 112 1HD ARG 10 1HD ARG 10 -0.694 -6.409 12.936 113 2HD ARG 10 2HD ARG 10 -1.894 -6.698 14.205 114 HE ARG 10 HE ARG 10 0.462 -8.485 14.123 115 1HH1 ARG 10 1HH1 ARG 10 -1.098 -5.814 15.766 116 2HH1 ARG 10 2HH1 ARG 10 -0.006 -5.848 17.119 117 1HH2 ARG 10 1HH2 ARG 10 1.886 -8.479 15.885 118 2HH2 ARG 10 2HH2 ARG 10 1.645 -7.334 17.165 119 H MET 11 H MET 11 -5.196 -7.517 9.172 120 HA MET 11 HA MET 11 -7.503 -6.471 10.497 121 1HB MET 11 1HB MET 11 -7.121 -7.744 7.758 122 2HB MET 11 2HB MET 11 -8.620 -6.970 8.252 123 1HG MET 11 1HG MET 11 -5.984 -5.458 8.279 124 2HG MET 11 2HG MET 11 -6.968 -5.629 6.838 125 1HE MET 11 1HE MET 11 -7.504 -2.559 10.110 126 2HE MET 11 2HE MET 11 -6.965 -4.195 10.559 127 3HE MET 11 3HE MET 11 -6.044 -3.245 9.362 128 H THR 12 H THR 12 -6.703 -9.816 9.607 129 HA THR 12 HA THR 12 -9.024 -10.841 11.180 130 HB THR 12 HB THR 12 -9.776 -12.294 9.296 131 HG1 THR 12 HG1 THR 12 -8.152 -10.523 7.852 132 1HG2 THR 12 1HG2 THR 12 -11.044 -10.745 7.990 133 2HG2 THR 12 2HG2 THR 12 -11.031 -10.168 9.664 134 3HG2 THR 12 3HG2 THR 12 -10.012 -9.382 8.438 135 H GLY 13 H GLY 13 -5.768 -11.338 10.116 136 1HA GLY 13 1HA GLY 13 -4.297 -13.080 10.480 137 2HA GLY 13 2HA GLY 13 -5.564 -13.996 11.304 138 H ILE 14 H ILE 14 -7.436 -14.617 9.685 139 HA ILE 14 HA ILE 14 -6.223 -16.608 8.079 140 HB ILE 14 HB ILE 14 -8.201 -17.562 7.679 141 1HG1 ILE 14 1HG1 ILE 14 -9.368 -15.934 6.346 142 2HG1 ILE 14 2HG1 ILE 14 -10.418 -16.673 7.534 143 1HG2 ILE 14 1HG2 ILE 14 -8.895 -15.949 10.161 144 2HG2 ILE 14 2HG2 ILE 14 -9.554 -17.519 9.686 145 3HG2 ILE 14 3HG2 ILE 14 -7.840 -17.374 10.101 146 1HD1 ILE 14 1HD1 ILE 14 -10.835 -14.246 7.267 147 2HD1 ILE 14 2HD1 ILE 14 -10.374 -14.656 8.925 148 3HD1 ILE 14 3HD1 ILE 14 -9.188 -13.916 7.828 149 H ARG 15 H ARG 15 -7.058 -13.389 7.130 150 HA ARG 15 HA ARG 15 -6.931 -13.855 4.272 151 1HB ARG 15 1HB ARG 15 -6.749 -11.433 6.049 152 2HB ARG 15 2HB ARG 15 -6.124 -11.297 4.433 153 1HG ARG 15 1HG ARG 15 -8.516 -10.560 4.879 154 2HG ARG 15 2HG ARG 15 -8.159 -11.410 3.391 155 1HD ARG 15 1HD ARG 15 -9.305 -12.861 5.794 156 2HD ARG 15 2HD ARG 15 -10.326 -11.930 4.690 157 HE ARG 15 HE ARG 15 -8.712 -13.671 3.135 158 1HH1 ARG 15 1HH1 ARG 15 -11.506 -13.794 5.171 159 2HH1 ARG 15 2HH1 ARG 15 -12.190 -15.207 4.398 160 1HH2 ARG 15 1HH2 ARG 15 -9.553 -15.517 2.157 161 2HH2 ARG 15 2HH2 ARG 15 -11.060 -16.161 2.728 162 H GLU 16 H GLU 16 -4.277 -13.984 6.617 163 HA GLU 16 HA GLU 16 -2.289 -12.974 4.854 164 1HB GLU 16 1HB GLU 16 -2.050 -13.751 7.343 165 2HB GLU 16 2HB GLU 16 -1.672 -15.328 6.657 166 1HG GLU 16 1HG GLU 16 0.255 -14.487 5.507 167 2HG GLU 16 2HG GLU 16 -0.287 -12.823 5.643 168 H ALA 17 H ALA 17 -3.640 -16.219 5.085 169 HA ALA 17 HA ALA 17 -2.152 -17.542 3.081 170 1HB ALA 17 1HB ALA 17 -4.058 -19.121 3.096 171 2HB ALA 17 2HB ALA 17 -3.596 -18.656 4.745 172 3HB ALA 17 3HB ALA 17 -5.038 -17.938 3.989 173 H THR 18 H THR 18 -4.777 -15.205 2.726 174 HA THR 18 HA THR 18 -5.137 -15.926 -0.127 175 HB THR 18 HB THR 18 -7.132 -15.365 1.414 176 HG1 THR 18 HG1 THR 18 -6.813 -14.144 -1.093 177 1HG2 THR 18 1HG2 THR 18 -7.982 -13.042 1.087 178 2HG2 THR 18 2HG2 THR 18 -6.632 -13.089 2.214 179 3HG2 THR 18 3HG2 THR 18 -6.375 -12.523 0.568 180 H LEU 19 H LEU 19 -3.921 -13.235 1.892 181 HA LEU 19 HA LEU 19 -3.287 -11.425 -0.216 182 1HB LEU 19 1HB LEU 19 -1.983 -11.894 2.498 183 2HB LEU 19 2HB LEU 19 -1.656 -10.490 1.488 184 HG LEU 19 HG LEU 19 -4.466 -11.156 2.460 185 1HD1 LEU 19 1HD1 LEU 19 -4.167 -9.506 4.243 186 2HD1 LEU 19 2HD1 LEU 19 -3.033 -10.877 4.416 187 3HD1 LEU 19 3HD1 LEU 19 -2.449 -9.311 3.763 188 1HD2 LEU 19 1HD2 LEU 19 -4.315 -9.581 0.579 189 2HD2 LEU 19 2HD2 LEU 19 -4.901 -8.815 2.061 190 3HD2 LEU 19 3HD2 LEU 19 -3.222 -8.553 1.526 191 H ARG 20 H ARG 20 -1.161 -13.815 1.426 192 HA ARG 20 HA ARG 20 1.064 -13.496 -0.364 193 1HB ARG 20 1HB ARG 20 1.983 -15.449 0.684 194 2HB ARG 20 2HB ARG 20 1.135 -14.519 1.913 195 1HG ARG 20 1HG ARG 20 0.359 -16.617 2.453 196 2HG ARG 20 2HG ARG 20 -0.890 -16.125 1.316 197 1HD ARG 20 1HD ARG 20 0.793 -17.324 -0.437 198 2HD ARG 20 2HD ARG 20 1.266 -18.174 1.036 199 HE ARG 20 HE ARG 20 -1.641 -17.993 0.609 200 1HH1 ARG 20 1HH1 ARG 20 1.141 -19.930 -0.253 201 2HH1 ARG 20 2HH1 ARG 20 0.195 -21.366 -0.542 202 1HH2 ARG 20 1HH2 ARG 20 -2.803 -19.791 0.291 203 2HH2 ARG 20 2HH2 ARG 20 -2.053 -21.283 -0.224 204 H ALA 21 H ALA 21 -1.900 -15.333 -0.754 205 HA ALA 21 HA ALA 21 -0.906 -16.866 -3.050 206 1HB ALA 21 1HB ALA 21 -3.776 -16.343 -2.157 207 2HB ALA 21 2HB ALA 21 -3.228 -17.519 -3.370 208 3HB ALA 21 3HB ALA 21 -2.765 -17.726 -1.677 209 H TRP 22 H TRP 22 -3.053 -13.963 -2.618 210 HA TRP 22 HA TRP 22 -3.464 -13.381 -5.323 211 1HB TRP 22 1HB TRP 22 -3.153 -11.359 -3.115 212 2HB TRP 22 2HB TRP 22 -3.924 -11.146 -4.690 213 HD1 TRP 22 HD1 TRP 22 -5.619 -14.055 -4.142 214 HE1 TRP 22 HE1 TRP 22 -7.851 -13.704 -2.885 215 HE3 TRP 22 HE3 TRP 22 -4.694 -9.484 -2.091 216 HZ2 TRP 22 HZ2 TRP 22 -8.947 -11.792 -0.973 217 HZ3 TRP 22 HZ3 TRP 22 -6.353 -8.387 -0.625 218 HH2 TRP 22 HH2 TRP 22 -8.466 -9.551 -0.024 219 H GLU 23 H GLU 23 -0.642 -12.525 -3.341 220 HA GLU 23 HA GLU 23 0.832 -10.893 -5.011 221 1HB GLU 23 1HB GLU 23 1.320 -12.169 -2.719 222 2HB GLU 23 2HB GLU 23 2.185 -13.288 -3.758 223 1HG GLU 23 1HG GLU 23 2.630 -10.270 -3.637 224 2HG GLU 23 2HG GLU 23 3.539 -11.433 -2.687 225 H ARG 24 H ARG 24 0.476 -14.433 -5.390 226 HA ARG 24 HA ARG 24 1.810 -14.297 -8.055 227 1HB ARG 24 1HB ARG 24 2.036 -16.156 -5.967 228 2HB ARG 24 2HB ARG 24 0.961 -16.971 -7.108 229 1HG ARG 24 1HG ARG 24 2.640 -16.489 -8.936 230 2HG ARG 24 2HG ARG 24 3.697 -15.760 -7.710 231 1HD ARG 24 1HD ARG 24 3.720 -17.952 -6.490 232 2HD ARG 24 2HD ARG 24 2.765 -18.658 -7.815 233 HE ARG 24 HE ARG 24 5.077 -17.373 -8.882 234 1HH1 ARG 24 1HH1 ARG 24 4.327 -20.256 -7.064 235 2HH1 ARG 24 2HH1 ARG 24 5.733 -21.126 -7.620 236 1HH2 ARG 24 1HH2 ARG 24 6.877 -18.502 -9.584 237 2HH2 ARG 24 2HH2 ARG 24 7.153 -20.125 -9.031 238 H ARG 25 H ARG 25 -1.310 -14.646 -6.681 239 HA ARG 25 HA ARG 25 -2.552 -15.933 -9.008 240 1HB ARG 25 1HB ARG 25 -2.982 -16.157 -6.421 241 2HB ARG 25 2HB ARG 25 -4.069 -14.794 -6.664 242 1HG ARG 25 1HG ARG 25 -5.446 -16.180 -8.177 243 2HG ARG 25 2HG ARG 25 -4.274 -17.514 -8.001 244 1HD ARG 25 1HD ARG 25 -4.602 -17.407 -5.501 245 2HD ARG 25 2HD ARG 25 -5.872 -16.204 -5.747 246 HE ARG 25 HE ARG 25 -6.484 -18.537 -7.268 247 1HH1 ARG 25 1HH1 ARG 25 -6.341 -17.556 -3.906 248 2HH1 ARG 25 2HH1 ARG 25 -7.484 -18.758 -3.379 249 1HH2 ARG 25 1HH2 ARG 25 -7.941 -20.113 -6.532 250 2HH2 ARG 25 2HH2 ARG 25 -8.349 -20.184 -4.848 251 H TYR 26 H TYR 26 -2.309 -12.625 -7.888 252 HA TYR 26 HA TYR 26 -3.704 -11.673 -10.347 253 1HB TYR 26 1HB TYR 26 -4.412 -10.626 -7.578 254 2HB TYR 26 2HB TYR 26 -5.054 -10.055 -9.110 255 HD1 TYR 26 HD1 TYR 26 -6.621 -11.480 -10.453 256 HD2 TYR 26 HD2 TYR 26 -5.268 -12.603 -6.523 257 HE1 TYR 26 HE1 TYR 26 -8.412 -13.215 -10.333 258 HE2 TYR 26 HE2 TYR 26 -6.987 -14.391 -6.440 259 HH TYR 26 HH TYR 26 -8.809 -15.324 -7.484 260 H GLY 27 H GLY 27 -1.506 -10.907 -7.630 261 1HA GLY 27 1HA GLY 27 0.331 -9.450 -7.751 262 2HA GLY 27 2HA GLY 27 -0.358 -8.630 -9.146 263 H PHE 28 H PHE 28 -2.677 -9.031 -6.614 264 HA PHE 28 HA PHE 28 -2.223 -6.253 -5.616 265 1HB PHE 28 1HB PHE 28 -4.150 -6.179 -6.991 266 2HB PHE 28 2HB PHE 28 -4.768 -7.689 -6.346 267 HD1 PHE 28 HD1 PHE 28 -4.488 -4.042 -5.734 268 HD2 PHE 28 HD2 PHE 28 -5.808 -7.808 -4.084 269 HE1 PHE 28 HE1 PHE 28 -5.945 -2.847 -4.154 270 HE2 PHE 28 HE2 PHE 28 -7.291 -6.600 -2.518 271 HZ PHE 28 HZ PHE 28 -7.403 -4.113 -2.579 272 HA PRO 29 HA PRO 29 -2.252 -5.058 -3.848 273 1HB PRO 29 1HB PRO 29 -0.841 -4.653 -1.580 274 2HB PRO 29 2HB PRO 29 -2.605 -4.611 -1.650 275 1HG PRO 29 1HG PRO 29 -0.817 -6.941 -0.812 276 2HG PRO 29 2HG PRO 29 -2.233 -6.319 0.068 277 1HD PRO 29 1HD PRO 29 -2.335 -8.483 -1.617 278 2HD PRO 29 2HD PRO 29 -3.718 -7.364 -1.452 279 H ARG 30 H ARG 30 -0.243 -4.213 -4.494 280 HA ARG 30 HA ARG 30 1.658 -6.313 -5.285 281 1HB ARG 30 1HB ARG 30 0.594 -4.545 -6.818 282 2HB ARG 30 2HB ARG 30 1.775 -3.416 -6.147 283 1HG ARG 30 1HG ARG 30 3.614 -5.011 -6.822 284 2HG ARG 30 2HG ARG 30 2.388 -6.127 -7.442 285 1HD ARG 30 1HD ARG 30 3.296 -4.953 -9.298 286 2HD ARG 30 2HD ARG 30 1.635 -4.377 -9.054 287 HE ARG 30 HE ARG 30 3.074 -2.573 -7.613 288 1HH1 ARG 30 1HH1 ARG 30 3.398 -3.611 -10.920 289 2HH1 ARG 30 2HH1 ARG 30 4.142 -2.129 -11.462 290 1HH2 ARG 30 1HH2 ARG 30 4.021 -0.661 -8.307 291 2HH2 ARG 30 2HH2 ARG 30 4.482 -0.475 -9.972 292 HA PRO 31 HA PRO 31 4.149 -4.921 -1.765 293 1HB PRO 31 1HB PRO 31 6.122 -6.824 -1.858 294 2HB PRO 31 2HB PRO 31 4.482 -7.123 -1.215 295 1HG PRO 31 1HG PRO 31 5.581 -7.764 -3.967 296 2HG PRO 31 2HG PRO 31 4.620 -8.815 -2.882 297 1HD PRO 31 1HD PRO 31 3.485 -7.424 -4.926 298 2HD PRO 31 2HD PRO 31 2.634 -7.663 -3.373 299 H LEU 32 H LEU 32 4.915 -2.970 -2.375 300 HA LEU 32 HA LEU 32 6.598 -2.503 -4.633 301 1HB LEU 32 1HB LEU 32 7.087 -0.283 -3.607 302 2HB LEU 32 2HB LEU 32 5.407 -0.625 -3.927 303 HG LEU 32 HG LEU 32 6.221 -1.331 -1.150 304 1HD1 LEU 32 1HD1 LEU 32 6.332 0.983 -0.342 305 2HD1 LEU 32 2HD1 LEU 32 7.686 0.609 -1.418 306 3HD1 LEU 32 3HD1 LEU 32 6.320 1.581 -2.017 307 1HD2 LEU 32 1HD2 LEU 32 3.854 -1.225 -1.945 308 2HD2 LEU 32 2HD2 LEU 32 4.171 -0.059 -0.639 309 3HD2 LEU 32 3HD2 LEU 32 4.057 0.499 -2.314 310 H ARG 33 H ARG 33 8.689 -2.195 -4.901 311 HA ARG 33 HA ARG 33 10.517 -3.769 -3.386 312 1HB ARG 33 1HB ARG 33 12.211 -2.924 -4.893 313 2HB ARG 33 2HB ARG 33 10.775 -3.332 -5.813 314 1HG ARG 33 1HG ARG 33 10.221 -1.080 -6.257 315 2HG ARG 33 2HG ARG 33 11.158 -0.447 -4.906 316 1HD ARG 33 1HD ARG 33 12.385 -1.737 -7.360 317 2HD ARG 33 2HD ARG 33 12.213 0.009 -7.097 318 HE ARG 33 HE ARG 33 13.530 -0.962 -4.816 319 1HH1 ARG 33 1HH1 ARG 33 14.312 -0.763 -8.210 320 2HH1 ARG 33 2HH1 ARG 33 16.030 -0.759 -7.934 321 1HH2 ARG 33 1HH2 ARG 33 15.655 -1.094 -4.440 322 2HH2 ARG 33 2HH2 ARG 33 16.791 -0.868 -5.752 323 H SER 34 H SER 34 12.592 -3.003 -2.615 324 HA SER 34 HA SER 34 12.453 -0.533 -0.963 325 1HB SER 34 1HB SER 34 12.924 -3.389 -0.005 326 2HB SER 34 2HB SER 34 13.162 -1.945 0.991 327 HG SER 34 HG SER 34 11.142 -1.885 1.359 328 H GLU 35 H GLU 35 14.617 -0.887 0.525 329 HA GLU 35 HA GLU 35 16.981 -0.655 -1.186 330 1HB GLU 35 1HB GLU 35 18.047 -0.006 1.042 331 2HB GLU 35 2HB GLU 35 16.925 1.082 0.264 332 1HG GLU 35 1HG GLU 35 16.012 1.381 2.257 333 2HG GLU 35 2HG GLU 35 15.187 -0.139 2.000 334 H GLY 36 H GLY 36 16.809 -2.274 2.071 335 1HA GLY 36 1HA GLY 36 17.522 -4.878 0.925 336 2HA GLY 36 2HA GLY 36 18.846 -4.010 1.698 337 H ASN 37 H ASN 37 17.536 -2.917 3.965 338 HA ASN 37 HA ASN 37 17.095 -5.321 5.675 339 1HB ASN 37 1HB ASN 37 17.393 -2.347 6.354 340 2HB ASN 37 2HB ASN 37 17.130 -3.643 7.522 341 1HD2 ASN 37 1HD2 ASN 37 19.500 -1.685 7.058 342 2HD2 ASN 37 2HD2 ASN 37 20.827 -2.851 7.034 343 H ASN 38 H ASN 38 15.494 -2.405 4.416 344 HA ASN 38 HA ASN 38 12.949 -2.872 5.726 345 1HB ASN 38 1HB ASN 38 13.455 -0.658 4.839 346 2HB ASN 38 2HB ASN 38 13.675 -1.327 3.217 347 1HD2 ASN 38 1HD2 ASN 38 11.087 -1.314 5.819 348 2HD2 ASN 38 2HD2 ASN 38 9.831 -1.169 4.581 349 H TYR 39 H TYR 39 12.013 -4.778 5.518 350 HA TYR 39 HA TYR 39 12.001 -6.502 3.289 351 1HB TYR 39 1HB TYR 39 9.648 -6.294 5.169 352 2HB TYR 39 2HB TYR 39 10.388 -7.735 4.488 353 HD1 TYR 39 HD1 TYR 39 9.948 -5.927 7.439 354 HD2 TYR 39 HD2 TYR 39 13.058 -7.938 5.225 355 HE1 TYR 39 HE1 TYR 39 11.335 -6.092 9.513 356 HE2 TYR 39 HE2 TYR 39 14.428 -8.092 7.278 357 HH TYR 39 HH TYR 39 14.617 -7.432 9.476 358 H ARG 40 H ARG 40 9.914 -7.162 2.143 359 HA ARG 40 HA ARG 40 8.819 -5.035 0.567 360 1HB ARG 40 1HB ARG 40 8.084 -7.954 1.042 361 2HB ARG 40 2HB ARG 40 7.009 -6.917 0.132 362 1HG ARG 40 1HG ARG 40 9.904 -7.553 -0.590 363 2HG ARG 40 2HG ARG 40 8.441 -8.146 -1.388 364 1HD ARG 40 1HD ARG 40 7.977 -5.488 -1.572 365 2HD ARG 40 2HD ARG 40 9.734 -5.423 -1.541 366 HE ARG 40 HE ARG 40 8.004 -6.112 -3.684 367 1HH1 ARG 40 1HH1 ARG 40 11.165 -6.971 -2.485 368 2HH1 ARG 40 2HH1 ARG 40 11.745 -7.572 -4.019 369 1HH2 ARG 40 1HH2 ARG 40 8.689 -7.035 -5.600 370 2HH2 ARG 40 2HH2 ARG 40 10.326 -7.600 -5.783 371 H VAL 41 H VAL 41 7.237 -3.705 0.804 372 HA VAL 41 HA VAL 41 5.265 -4.000 3.001 373 HB VAL 41 HB VAL 41 5.577 -1.525 3.472 374 1HG1 VAL 41 1HG1 VAL 41 7.996 -3.205 4.140 375 2HG1 VAL 41 2HG1 VAL 41 7.274 -1.874 5.075 376 3HG1 VAL 41 3HG1 VAL 41 6.404 -3.410 4.876 377 1HG2 VAL 41 1HG2 VAL 41 6.866 -0.884 1.456 378 2HG2 VAL 41 2HG2 VAL 41 7.655 -0.429 2.975 379 3HG2 VAL 41 3HG2 VAL 41 8.249 -1.827 2.061 380 H TYR 42 H TYR 42 3.676 -2.074 2.867 381 HA TYR 42 HA TYR 42 2.778 -1.705 0.051 382 1HB TYR 42 1HB TYR 42 1.081 -2.519 2.414 383 2HB TYR 42 2HB TYR 42 0.490 -2.150 0.797 384 HD1 TYR 42 HD1 TYR 42 1.839 -4.713 2.941 385 HD2 TYR 42 HD2 TYR 42 1.349 -3.570 -1.187 386 HE1 TYR 42 HE1 TYR 42 2.107 -7.096 2.216 387 HE2 TYR 42 HE2 TYR 42 1.573 -5.950 -1.856 388 HH TYR 42 HH TYR 42 1.633 -8.113 -1.141 389 H SER 43 H SER 43 1.528 0.055 -0.394 390 HA SER 43 HA SER 43 1.904 2.429 1.240 391 1HB SER 43 1HB SER 43 0.797 3.475 -0.797 392 2HB SER 43 2HB SER 43 2.333 2.654 -1.081 393 HG SER 43 HG SER 43 0.430 2.201 -2.623 394 H ARG 44 H ARG 44 0.164 3.812 1.786 395 HA ARG 44 HA ARG 44 -1.963 2.550 3.208 396 1HB ARG 44 1HB ARG 44 -2.867 4.902 3.459 397 2HB ARG 44 2HB ARG 44 -1.282 4.585 4.130 398 1HG ARG 44 1HG ARG 44 -1.425 5.688 1.315 399 2HG ARG 44 2HG ARG 44 -1.828 6.757 2.645 400 1HD ARG 44 1HD ARG 44 0.662 5.236 3.164 401 2HD ARG 44 2HD ARG 44 0.761 6.187 1.690 402 HE ARG 44 HE ARG 44 0.613 7.158 4.440 403 1HH1 ARG 44 1HH1 ARG 44 0.131 8.113 1.104 404 2HH1 ARG 44 2HH1 ARG 44 0.155 9.814 1.454 405 1HH2 ARG 44 1HH2 ARG 44 0.591 9.361 4.874 406 2HH2 ARG 44 2HH2 ARG 44 0.419 10.494 3.566 407 H GLU 45 H GLU 45 -1.988 4.037 0.018 408 HA GLU 45 HA GLU 45 -4.746 3.807 -0.654 409 1HB GLU 45 1HB GLU 45 -3.686 3.319 -3.022 410 2HB GLU 45 2HB GLU 45 -3.544 4.927 -2.306 411 1HG GLU 45 1HG GLU 45 -1.284 4.668 -1.754 412 2HG GLU 45 2HG GLU 45 -1.416 2.929 -1.689 413 H GLU 46 H GLU 46 -2.112 1.375 -1.236 414 HA GLU 46 HA GLU 46 -3.863 -0.719 -2.042 415 1HB GLU 46 1HB GLU 46 -1.068 -0.700 -0.848 416 2HB GLU 46 2HB GLU 46 -1.891 -2.201 -1.242 417 1HG GLU 46 1HG GLU 46 -1.574 -0.018 -3.334 418 2HG GLU 46 2HG GLU 46 -0.274 -1.154 -2.973 419 H VAL 47 H VAL 47 -2.539 0.046 1.226 420 HA VAL 47 HA VAL 47 -3.849 -2.094 2.578 421 HB VAL 47 HB VAL 47 -3.075 0.642 3.618 422 1HG1 VAL 47 1HG1 VAL 47 -3.107 -0.435 5.881 423 2HG1 VAL 47 2HG1 VAL 47 -4.712 -0.277 5.166 424 3HG1 VAL 47 3HG1 VAL 47 -3.901 -1.855 5.155 425 1HG2 VAL 47 1HG2 VAL 47 -1.396 -1.443 2.775 426 2HG2 VAL 47 2HG2 VAL 47 -0.970 -0.133 3.879 427 3HG2 VAL 47 3HG2 VAL 47 -1.503 -1.695 4.519 428 H GLU 48 H GLU 48 -5.141 1.238 1.945 429 HA GLU 48 HA GLU 48 -7.678 0.831 3.192 430 1HB GLU 48 1HB GLU 48 -6.917 3.032 2.651 431 2HB GLU 48 2HB GLU 48 -6.803 2.665 0.926 432 1HG GLU 48 1HG GLU 48 -9.125 2.669 0.615 433 2HG GLU 48 2HG GLU 48 -9.466 2.315 2.309 434 H ALA 49 H ALA 49 -6.791 0.483 -0.294 435 HA ALA 49 HA ALA 49 -9.266 -0.536 -1.202 436 1HB ALA 49 1HB ALA 49 -6.442 -1.198 -2.160 437 2HB ALA 49 2HB ALA 49 -7.946 -1.493 -3.058 438 3HB ALA 49 3HB ALA 49 -7.439 0.168 -2.698 439 H VAL 50 H VAL 50 -6.394 -2.408 -0.057 440 HA VAL 50 HA VAL 50 -7.648 -4.958 -0.224 441 HB VAL 50 HB VAL 50 -5.370 -4.086 1.579 442 1HG1 VAL 50 1HG1 VAL 50 -6.161 -6.158 2.482 443 2HG1 VAL 50 2HG1 VAL 50 -6.564 -6.797 0.880 444 3HG1 VAL 50 3HG1 VAL 50 -4.874 -6.630 1.352 445 1HG2 VAL 50 1HG2 VAL 50 -5.060 -3.961 -1.021 446 2HG2 VAL 50 2HG2 VAL 50 -3.924 -4.871 -0.027 447 3HG2 VAL 50 3HG2 VAL 50 -5.175 -5.720 -0.974 448 H ARG 51 H ARG 51 -7.433 -2.700 2.603 449 HA ARG 51 HA ARG 51 -8.729 -4.409 4.468 450 1HB ARG 51 1HB ARG 51 -7.542 -2.447 5.141 451 2HB ARG 51 2HB ARG 51 -8.589 -1.376 4.216 452 1HG ARG 51 1HG ARG 51 -9.848 -3.106 6.343 453 2HG ARG 51 2HG ARG 51 -8.838 -1.741 6.852 454 1HD ARG 51 1HD ARG 51 -10.165 -0.171 5.592 455 2HD ARG 51 2HD ARG 51 -11.183 -1.465 4.934 456 HE ARG 51 HE ARG 51 -11.474 -1.892 7.575 457 1HH1 ARG 51 1HH1 ARG 51 -11.757 1.109 5.798 458 2HH1 ARG 51 2HH1 ARG 51 -12.907 1.803 6.903 459 1HH2 ARG 51 1HH2 ARG 51 -12.931 -0.966 9.000 460 2HH2 ARG 51 2HH2 ARG 51 -13.571 0.619 8.683 461 H ARG 52 H ARG 52 -10.156 -2.154 2.100 462 HA ARG 52 HA ARG 52 -12.924 -2.880 2.634 463 1HB ARG 52 1HB ARG 52 -11.446 -1.534 0.368 464 2HB ARG 52 2HB ARG 52 -13.050 -2.206 0.047 465 1HG ARG 52 1HG ARG 52 -14.019 -0.911 1.865 466 2HG ARG 52 2HG ARG 52 -12.434 -0.238 2.294 467 1HD ARG 52 1HD ARG 52 -12.288 1.038 0.314 468 2HD ARG 52 2HD ARG 52 -13.485 0.064 -0.537 469 HE ARG 52 HE ARG 52 -13.992 2.302 1.267 470 1HH1 ARG 52 1HH1 ARG 52 -15.456 -0.455 -0.305 471 2HH1 ARG 52 2HH1 ARG 52 -17.085 0.124 -0.105 472 1HH2 ARG 52 1HH2 ARG 52 -16.117 3.037 1.516 473 2HH2 ARG 52 2HH2 ARG 52 -17.432 2.075 0.914 474 H VAL 53 H VAL 53 -10.761 -4.058 0.028 475 HA VAL 53 HA VAL 53 -12.448 -6.052 -0.998 476 HB VAL 53 HB VAL 53 -9.415 -5.965 -0.895 477 1HG1 VAL 53 1HG1 VAL 53 -11.207 -7.823 -2.477 478 2HG1 VAL 53 2HG1 VAL 53 -9.497 -7.534 -2.854 479 3HG1 VAL 53 3HG1 VAL 53 -9.927 -8.243 -1.311 480 1HG2 VAL 53 1HG2 VAL 53 -10.097 -5.490 -3.503 481 2HG2 VAL 53 2HG2 VAL 53 -11.504 -4.791 -2.683 482 3HG2 VAL 53 3HG2 VAL 53 -9.884 -4.219 -2.325 483 H ALA 54 H ALA 54 -9.968 -6.607 1.540 484 HA ALA 54 HA ALA 54 -10.469 -9.293 2.148 485 1HB ALA 54 1HB ALA 54 -9.448 -8.654 4.355 486 2HB ALA 54 2HB ALA 54 -8.530 -8.054 2.954 487 3HB ALA 54 3HB ALA 54 -9.571 -6.957 3.892 488 H ARG 55 H ARG 55 -12.107 -6.378 3.560 489 HA ARG 55 HA ARG 55 -13.816 -7.983 5.279 490 1HB ARG 55 1HB ARG 55 -13.264 -5.478 5.553 491 2HB ARG 55 2HB ARG 55 -14.429 -5.194 4.248 492 1HG ARG 55 1HG ARG 55 -16.038 -6.684 5.752 493 2HG ARG 55 2HG ARG 55 -14.889 -6.347 7.035 494 1HD ARG 55 1HD ARG 55 -15.717 -3.916 5.544 495 2HD ARG 55 2HD ARG 55 -17.087 -4.825 6.195 496 HE ARG 55 HE ARG 55 -15.054 -4.492 8.200 497 1HH1 ARG 55 1HH1 ARG 55 -17.673 -2.786 6.644 498 2HH1 ARG 55 2HH1 ARG 55 -18.000 -1.757 8.009 499 1HH2 ARG 55 1HH2 ARG 55 -15.529 -3.186 9.990 500 2HH2 ARG 55 2HH2 ARG 55 -16.778 -1.988 9.865 501 H LEU 56 H LEU 56 -14.241 -6.591 2.001 502 HA LEU 56 HA LEU 56 -16.895 -7.535 1.574 503 1HB LEU 56 1HB LEU 56 -14.806 -6.235 0.066 504 2HB LEU 56 2HB LEU 56 -15.264 -7.630 -0.832 505 HG LEU 56 HG LEU 56 -16.540 -5.906 -1.706 506 1HD1 LEU 56 1HD1 LEU 56 -18.833 -6.448 -1.372 507 2HD1 LEU 56 2HD1 LEU 56 -17.942 -7.958 -1.113 508 3HD1 LEU 56 3HD1 LEU 56 -18.551 -7.039 0.266 509 1HD2 LEU 56 1HD2 LEU 56 -17.279 -5.054 1.120 510 2HD2 LEU 56 2HD2 LEU 56 -16.136 -4.233 0.029 511 3HD2 LEU 56 3HD2 LEU 56 -17.861 -4.302 -0.381 512 H ILE 57 H ILE 57 -13.774 -9.166 1.040 513 HA ILE 57 HA ILE 57 -14.747 -11.658 0.073 514 HB ILE 57 HB ILE 57 -12.240 -10.675 1.350 515 1HG1 ILE 57 1HG1 ILE 57 -11.524 -12.474 -0.633 516 2HG1 ILE 57 2HG1 ILE 57 -13.076 -11.928 -1.241 517 1HG2 ILE 57 1HG2 ILE 57 -11.180 -12.844 1.558 518 2HG2 ILE 57 2HG2 ILE 57 -12.485 -12.642 2.725 519 3HG2 ILE 57 3HG2 ILE 57 -12.738 -13.658 1.278 520 1HD1 ILE 57 1HD1 ILE 57 -12.327 -9.663 -1.327 521 2HD1 ILE 57 2HD1 ILE 57 -10.881 -10.038 -0.337 522 3HD1 ILE 57 3HD1 ILE 57 -11.011 -10.646 -1.982 523 H GLN 58 H GLN 58 -14.836 -10.454 3.427 524 HA GLN 58 HA GLN 58 -15.495 -13.055 4.554 525 1HB GLN 58 1HB GLN 58 -15.379 -10.250 5.524 526 2HB GLN 58 2HB GLN 58 -16.656 -11.193 6.255 527 1HG GLN 58 1HG GLN 58 -13.724 -12.020 6.150 528 2HG GLN 58 2HG GLN 58 -14.494 -11.203 7.510 529 1HE2 GLN 58 1HE2 GLN 58 -13.293 -14.137 7.147 530 2HE2 GLN 58 2HE2 GLN 58 -14.677 -15.042 7.776 531 H GLU 59 H GLU 59 -17.362 -10.876 2.529 532 HA GLU 59 HA GLU 59 -19.911 -11.963 3.517 533 1HB GLU 59 1HB GLU 59 -19.473 -10.213 1.074 534 2HB GLU 59 2HB GLU 59 -20.968 -10.527 1.962 535 1HG GLU 59 1HG GLU 59 -19.645 -9.523 4.023 536 2HG GLU 59 2HG GLU 59 -18.599 -8.827 2.789 537 H GLU 60 H GLU 60 -17.706 -12.595 0.863 538 HA GLU 60 HA GLU 60 -19.141 -15.115 0.256 539 1HB GLU 60 1HB GLU 60 -19.028 -12.831 -1.733 540 2HB GLU 60 2HB GLU 60 -18.857 -14.484 -2.309 541 1HG GLU 60 1HG GLU 60 -21.014 -15.076 -1.128 542 2HG GLU 60 2HG GLU 60 -21.255 -13.343 -0.845 543 H GLY 61 H GLY 61 -16.422 -13.028 -0.735 544 1HA GLY 61 1HA GLY 61 -14.141 -13.864 -0.856 545 2HA GLY 61 2HA GLY 61 -14.743 -15.464 -1.232 546 H LEU 62 H LEU 62 -16.703 -14.382 -3.284 547 HA LEU 62 HA LEU 62 -15.227 -14.311 -5.696 548 1HB LEU 62 1HB LEU 62 -17.551 -14.707 -5.782 549 2HB LEU 62 2HB LEU 62 -17.930 -13.291 -4.813 550 HG LEU 62 HG LEU 62 -17.389 -11.792 -6.663 551 1HD1 LEU 62 1HD1 LEU 62 -16.970 -14.321 -8.331 552 2HD1 LEU 62 2HD1 LEU 62 -17.172 -12.678 -8.978 553 3HD1 LEU 62 3HD1 LEU 62 -15.749 -13.073 -8.016 554 1HD2 LEU 62 1HD2 LEU 62 -19.681 -12.713 -6.323 555 2HD2 LEU 62 2HD2 LEU 62 -19.344 -12.293 -8.009 556 3HD2 LEU 62 3HD2 LEU 62 -19.315 -13.996 -7.493 557 H SER 63 H SER 63 -15.962 -11.707 -3.478 558 HA SER 63 HA SER 63 -15.048 -9.443 -4.902 559 1HB SER 63 1HB SER 63 -15.241 -10.129 -1.981 560 2HB SER 63 2HB SER 63 -14.425 -8.643 -2.511 561 HG SER 63 HG SER 63 -17.054 -9.377 -3.319 562 H VAL 64 H VAL 64 -13.019 -12.110 -4.053 563 HA VAL 64 HA VAL 64 -10.479 -10.717 -4.099 564 HB VAL 64 HB VAL 64 -11.281 -13.427 -5.256 565 1HG1 VAL 64 1HG1 VAL 64 -9.269 -12.657 -6.395 566 2HG1 VAL 64 2HG1 VAL 64 -8.548 -12.124 -4.872 567 3HG1 VAL 64 3HG1 VAL 64 -8.804 -13.859 -5.189 568 1HG2 VAL 64 1HG2 VAL 64 -11.398 -13.322 -2.760 569 2HG2 VAL 64 2HG2 VAL 64 -10.116 -14.386 -3.327 570 3HG2 VAL 64 3HG2 VAL 64 -9.744 -12.748 -2.727 571 H SER 65 H SER 65 -12.018 -12.348 -6.915 572 HA SER 65 HA SER 65 -10.436 -10.722 -8.719 573 1HB SER 65 1HB SER 65 -11.249 -13.083 -9.134 574 2HB SER 65 2HB SER 65 -12.857 -12.399 -9.454 575 HG SER 65 HG SER 65 -11.619 -12.595 -11.374 576 H GLU 66 H GLU 66 -13.839 -10.601 -7.608 577 HA GLU 66 HA GLU 66 -14.723 -8.526 -9.365 578 1HB GLU 66 1HB GLU 66 -15.722 -9.913 -6.964 579 2HB GLU 66 2HB GLU 66 -16.234 -8.241 -7.018 580 1HG GLU 66 1HG GLU 66 -16.542 -10.064 -9.433 581 2HG GLU 66 2HG GLU 66 -17.714 -10.046 -8.116 582 H ALA 67 H ALA 67 -13.671 -8.058 -5.852 583 HA ALA 67 HA ALA 67 -13.951 -5.227 -6.290 584 1HB ALA 67 1HB ALA 67 -12.553 -6.527 -3.953 585 2HB ALA 67 2HB ALA 67 -13.329 -4.932 -4.049 586 3HB ALA 67 3HB ALA 67 -14.322 -6.394 -4.099 587 H ILE 68 H ILE 68 -11.215 -7.473 -6.638 588 HA ILE 68 HA ILE 68 -9.199 -5.435 -7.005 589 HB ILE 68 HB ILE 68 -9.372 -8.272 -8.074 590 1HG1 ILE 68 1HG1 ILE 68 -7.581 -6.977 -5.973 591 2HG1 ILE 68 2HG1 ILE 68 -9.056 -7.809 -5.549 592 1HG2 ILE 68 1HG2 ILE 68 -6.953 -7.971 -8.676 593 2HG2 ILE 68 2HG2 ILE 68 -8.009 -6.959 -9.642 594 3HG2 ILE 68 3HG2 ILE 68 -7.096 -6.242 -8.293 595 1HD1 ILE 68 1HD1 ILE 68 -8.112 -9.923 -6.609 596 2HD1 ILE 68 2HD1 ILE 68 -6.561 -9.075 -6.740 597 3HD1 ILE 68 3HD1 ILE 68 -7.287 -9.348 -5.151 598 H ALA 69 H ALA 69 -11.322 -7.139 -9.460 599 HA ALA 69 HA ALA 69 -10.475 -5.593 -11.668 600 1HB ALA 69 1HB ALA 69 -11.772 -7.666 -11.861 601 2HB ALA 69 2HB ALA 69 -13.180 -6.882 -11.115 602 3HB ALA 69 3HB ALA 69 -12.593 -6.336 -12.701 603 H GLN 70 H GLN 70 -13.146 -4.949 -9.362 604 HA GLN 70 HA GLN 70 -14.025 -2.467 -10.406 605 1HB GLN 70 1HB GLN 70 -13.936 -3.492 -7.560 606 2HB GLN 70 2HB GLN 70 -14.735 -1.994 -8.037 607 1HG GLN 70 1HG GLN 70 -16.329 -3.114 -9.408 608 2HG GLN 70 2HG GLN 70 -15.439 -4.631 -9.383 609 1HE2 GLN 70 1HE2 GLN 70 -17.079 -5.986 -8.500 610 2HE2 GLN 70 2HE2 GLN 70 -17.722 -5.628 -6.880 611 H VAL 71 H VAL 71 -11.565 -2.826 -7.691 612 HA VAL 71 HA VAL 71 -10.955 -0.019 -7.906 613 HB VAL 71 HB VAL 71 -10.633 -1.568 -5.902 614 1HG1 VAL 71 1HG1 VAL 71 -7.860 -1.965 -7.104 615 2HG1 VAL 71 2HG1 VAL 71 -8.455 -2.534 -5.531 616 3HG1 VAL 71 3HG1 VAL 71 -9.122 -3.213 -7.020 617 1HG2 VAL 71 1HG2 VAL 71 -8.452 0.443 -6.568 618 2HG2 VAL 71 2HG2 VAL 71 -10.064 0.820 -5.928 619 3HG2 VAL 71 3HG2 VAL 71 -8.926 -0.120 -4.950 620 H LYS 72 H LYS 72 -9.674 -2.720 -9.736 621 HA LYS 72 HA LYS 72 -7.473 -1.277 -10.964 622 1HB LYS 72 1HB LYS 72 -9.157 -3.655 -11.843 623 2HB LYS 72 2HB LYS 72 -7.903 -2.973 -12.856 624 1HG LYS 72 1HG LYS 72 -6.883 -3.458 -10.141 625 2HG LYS 72 2HG LYS 72 -7.603 -4.919 -10.813 626 1HD LYS 72 1HD LYS 72 -5.540 -3.255 -12.301 627 2HD LYS 72 2HD LYS 72 -5.136 -4.634 -11.258 628 1HE LYS 72 1HE LYS 72 -6.489 -6.147 -12.616 629 2HE LYS 72 2HE LYS 72 -7.052 -4.810 -13.625 630 1HZ LYS 72 1HZ LYS 72 -5.240 -6.012 -14.675 631 2HZ LYS 72 2HZ LYS 72 -4.778 -4.466 -14.351 632 3HZ LYS 72 3HZ LYS 72 -4.240 -5.701 -13.406 633 H THR 73 H THR 73 -10.924 -1.648 -11.953 634 HA THR 73 HA THR 73 -10.478 0.207 -14.201 635 HB THR 73 HB THR 73 -12.052 -1.774 -14.250 636 HG1 THR 73 HG1 THR 73 -13.666 -0.164 -15.282 637 1HG2 THR 73 1HG2 THR 73 -13.412 -1.331 -12.228 638 2HG2 THR 73 2HG2 THR 73 -14.001 0.178 -12.955 639 3HG2 THR 73 3HG2 THR 73 -14.392 -1.379 -13.694 640 H GLU 74 H GLU 74 -11.498 0.543 -10.883 641 HA GLU 74 HA GLU 74 -11.850 3.490 -11.260 642 1HB GLU 74 1HB GLU 74 -12.890 1.672 -9.055 643 2HB GLU 74 2HB GLU 74 -13.082 3.427 -9.142 644 1HG GLU 74 1HG GLU 74 -14.394 3.211 -11.216 645 2HG GLU 74 2HG GLU 74 -14.185 1.459 -11.182 646 HA PRO 75 HA PRO 75 -7.844 2.610 -9.025 647 1HB PRO 75 1HB PRO 75 -6.195 4.355 -10.372 648 2HB PRO 75 2HB PRO 75 -6.584 2.705 -10.953 649 1HG PRO 75 1HG PRO 75 -7.931 5.316 -11.743 650 2HG PRO 75 2HG PRO 75 -7.286 4.039 -12.826 651 1HD PRO 75 1HD PRO 75 -9.913 4.131 -12.187 652 2HD PRO 75 2HD PRO 75 -9.054 2.562 -12.273 653 HA PRO 76 HA PRO 76 -8.659 6.081 -6.373 654 1HB PRO 76 1HB PRO 76 -6.581 5.982 -4.592 655 2HB PRO 76 2HB PRO 76 -7.898 4.770 -4.639 656 1HG PRO 76 1HG PRO 76 -5.154 4.574 -5.918 657 2HG PRO 76 2HG PRO 76 -5.978 3.364 -4.885 658 1HD PRO 76 1HD PRO 76 -6.048 3.204 -7.608 659 2HD PRO 76 2HD PRO 76 -7.484 2.773 -6.629 660 H ARG 77 H ARG 77 -8.367 8.191 -6.506 661 HA ARG 77 HA ARG 77 -5.886 9.597 -6.690 662 1HB ARG 77 1HB ARG 77 -6.324 10.705 -8.898 663 2HB ARG 77 2HB ARG 77 -5.803 9.035 -8.973 664 1HG ARG 77 1HG ARG 77 -8.310 8.404 -9.283 665 2HG ARG 77 2HG ARG 77 -8.596 10.134 -9.489 666 1HD ARG 77 1HD ARG 77 -8.374 9.089 -11.649 667 2HD ARG 77 2HD ARG 77 -6.971 10.144 -11.381 668 HE ARG 77 HE ARG 77 -6.304 7.542 -10.484 669 1HH1 ARG 77 1HH1 ARG 77 -7.041 9.046 -13.537 670 2HH1 ARG 77 2HH1 ARG 77 -6.039 7.972 -14.480 671 1HH2 ARG 77 1HH2 ARG 77 -4.955 6.195 -11.694 672 2HH2 ARG 77 2HH2 ARG 77 -4.878 6.364 -13.424 673 H GLU 78 H GLU 78 -6.205 11.382 -5.591 674 HA GLU 78 HA GLU 78 -8.827 12.467 -4.878 675 1HB GLU 78 1HB GLU 78 -5.941 13.269 -4.308 676 2HB GLU 78 2HB GLU 78 -7.341 14.169 -3.711 677 1HG GLU 78 1HG GLU 78 -8.096 12.326 -2.365 678 2HG GLU 78 2HG GLU 78 -6.963 11.207 -3.115 Start of MODEL 6 1 1H GLY -2 1H GLY -2 8.610 16.294 5.249 2 2H GLY -2 2H GLY -2 8.386 15.006 4.259 3 3H GLY -2 3H GLY -2 8.869 14.768 5.810 4 1HA GLY -2 1HA GLY -2 6.771 15.577 6.664 5 2HA GLY -2 2HA GLY -2 6.274 15.920 4.993 6 H SER -1 H SER -1 5.948 14.262 3.565 7 HA SER -1 HA SER -1 4.822 12.621 2.803 8 1HB SER -1 1HB SER -1 5.939 10.480 2.863 9 2HB SER -1 2HB SER -1 7.208 11.715 3.047 10 HG SER -1 HG SER -1 6.714 11.345 5.445 11 H HIS 0 H HIS 0 4.263 10.018 3.454 12 HA HIS 0 HA HIS 0 1.941 10.225 5.328 13 1HB HIS 0 1HB HIS 0 2.432 8.461 2.866 14 2HB HIS 0 2HB HIS 0 1.042 8.315 3.906 15 HD1 HIS 0 HD1 HIS 0 -0.605 10.649 3.955 16 HD2 HIS 0 HD2 HIS 0 1.946 9.773 0.713 17 HE1 HIS 0 HE1 HIS 0 -1.627 11.802 1.888 18 HE2 HIS 0 HE2 HIS 0 -0.048 11.279 -0.077 19 H MET 1 H MET 1 1.298 8.118 6.249 20 HA MET 1 HA MET 1 3.444 6.592 7.497 21 1HB MET 1 1HB MET 1 1.188 7.137 8.526 22 2HB MET 1 2HB MET 1 0.449 6.037 7.355 23 1HG MET 1 1HG MET 1 1.835 4.183 8.274 24 2HG MET 1 2HG MET 1 2.497 5.285 9.481 25 1HE MET 1 1HE MET 1 -0.538 6.620 11.106 26 2HE MET 1 2HE MET 1 0.331 5.519 12.194 27 3HE MET 1 3HE MET 1 1.240 6.546 11.067 28 H THR 2 H THR 2 3.887 4.365 7.153 29 HA THR 2 HA THR 2 2.693 2.908 4.894 30 HB THR 2 HB THR 2 4.825 2.078 4.085 31 HG1 THR 2 HG1 THR 2 5.977 3.816 5.980 32 1HG2 THR 2 1HG2 THR 2 4.016 4.196 3.037 33 2HG2 THR 2 2HG2 THR 2 5.041 5.114 4.166 34 3HG2 THR 2 3HG2 THR 2 5.780 4.004 2.996 35 H LEU 3 H LEU 3 3.020 0.569 5.165 36 HA LEU 3 HA LEU 3 4.062 -0.339 7.776 37 1HB LEU 3 1HB LEU 3 1.163 -0.636 6.907 38 2HB LEU 3 2HB LEU 3 1.904 -1.895 7.842 39 HG LEU 3 HG LEU 3 0.729 -0.696 9.356 40 1HD1 LEU 3 1HD1 LEU 3 3.534 0.399 9.769 41 2HD1 LEU 3 2HD1 LEU 3 2.303 0.086 10.996 42 3HD1 LEU 3 3HD1 LEU 3 3.039 -1.273 10.122 43 1HD2 LEU 3 1HD2 LEU 3 1.963 1.989 8.945 44 2HD2 LEU 3 2HD2 LEU 3 0.617 1.475 7.900 45 3HD2 LEU 3 3HD2 LEU 3 0.427 1.531 9.665 46 H ARG 4 H ARG 4 3.778 -2.878 7.824 47 HA ARG 4 HA ARG 4 4.935 -3.897 5.273 48 1HB ARG 4 1HB ARG 4 5.302 -4.835 8.142 49 2HB ARG 4 2HB ARG 4 5.993 -5.653 6.744 50 1HG ARG 4 1HG ARG 4 6.682 -2.769 7.461 51 2HG ARG 4 2HG ARG 4 7.525 -4.170 8.115 52 1HD ARG 4 1HD ARG 4 8.037 -4.907 5.743 53 2HD ARG 4 2HD ARG 4 7.323 -3.399 5.181 54 HE ARG 4 HE ARG 4 9.246 -2.283 5.752 55 1HH1 ARG 4 1HH1 ARG 4 9.404 -5.313 7.492 56 2HH1 ARG 4 2HH1 ARG 4 11.030 -5.028 8.053 57 1HH2 ARG 4 1HH2 ARG 4 11.344 -1.963 6.486 58 2HH2 ARG 4 2HH2 ARG 4 12.077 -3.138 7.514 59 H ILE 5 H ILE 5 4.385 -6.025 4.605 60 HA ILE 5 HA ILE 5 1.745 -6.761 4.585 61 HB ILE 5 HB ILE 5 3.872 -7.709 3.349 62 1HG1 ILE 5 1HG1 ILE 5 1.664 -7.890 2.439 63 2HG1 ILE 5 2HG1 ILE 5 2.493 -9.427 2.282 64 1HG2 ILE 5 1HG2 ILE 5 4.314 -10.063 3.689 65 2HG2 ILE 5 2HG2 ILE 5 4.806 -9.116 5.097 66 3HG2 ILE 5 3HG2 ILE 5 3.319 -10.089 5.140 67 1HD1 ILE 5 1HD1 ILE 5 0.359 -10.036 2.917 68 2HD1 ILE 5 2HD1 ILE 5 1.168 -10.074 4.481 69 3HD1 ILE 5 3HD1 ILE 5 0.164 -8.670 4.031 70 H ARG 6 H ARG 6 4.077 -8.016 6.929 71 HA ARG 6 HA ARG 6 2.497 -9.751 8.456 72 1HB ARG 6 1HB ARG 6 3.962 -9.107 10.382 73 2HB ARG 6 2HB ARG 6 4.836 -9.582 8.926 74 1HG ARG 6 1HG ARG 6 5.444 -7.316 8.410 75 2HG ARG 6 2HG ARG 6 4.312 -6.665 9.591 76 1HD ARG 6 1HD ARG 6 5.893 -8.172 11.232 77 2HD ARG 6 2HD ARG 6 7.052 -7.705 9.973 78 HE ARG 6 HE ARG 6 5.344 -5.535 10.985 79 1HH1 ARG 6 1HH1 ARG 6 8.415 -7.127 11.561 80 2HH1 ARG 6 2HH1 ARG 6 9.048 -5.794 12.487 81 1HH2 ARG 6 1HH2 ARG 6 6.178 -3.870 12.197 82 2HH2 ARG 6 2HH2 ARG 6 7.786 -3.984 12.833 83 H THR 7 H THR 7 2.523 -6.206 8.621 84 HA THR 7 HA THR 7 0.708 -6.059 10.891 85 HB THR 7 HB THR 7 1.741 -3.890 9.034 86 HG1 THR 7 HG1 THR 7 2.529 -4.349 11.665 87 1HG2 THR 7 1HG2 THR 7 0.298 -3.812 11.727 88 2HG2 THR 7 2HG2 THR 7 1.200 -2.440 11.059 89 3HG2 THR 7 3HG2 THR 7 -0.216 -3.063 10.201 90 H ILE 8 H ILE 8 0.481 -5.774 7.347 91 HA ILE 8 HA ILE 8 -2.315 -5.050 7.235 92 HB ILE 8 HB ILE 8 -0.590 -6.527 5.196 93 1HG1 ILE 8 1HG1 ILE 8 -1.283 -3.584 5.577 94 2HG1 ILE 8 2HG1 ILE 8 0.305 -4.316 5.738 95 1HG2 ILE 8 1HG2 ILE 8 -3.292 -5.157 4.851 96 2HG2 ILE 8 2HG2 ILE 8 -2.309 -5.856 3.541 97 3HG2 ILE 8 3HG2 ILE 8 -2.965 -6.914 4.747 98 1HD1 ILE 8 1HD1 ILE 8 0.291 -4.901 3.318 99 2HD1 ILE 8 2HD1 ILE 8 -1.234 -3.995 3.136 100 3HD1 ILE 8 3HD1 ILE 8 0.208 -3.156 3.674 101 H ALA 9 H ALA 9 -0.647 -8.219 7.269 102 HA ALA 9 HA ALA 9 -3.044 -9.802 7.162 103 1HB ALA 9 1HB ALA 9 -0.283 -10.505 8.250 104 2HB ALA 9 2HB ALA 9 -1.555 -11.630 7.742 105 3HB ALA 9 3HB ALA 9 -0.771 -10.584 6.542 106 H ARG 10 H ARG 10 -1.009 -8.756 9.911 107 HA ARG 10 HA ARG 10 -2.207 -9.895 12.125 108 1HB ARG 10 1HB ARG 10 -0.797 -7.322 11.563 109 2HB ARG 10 2HB ARG 10 -1.577 -7.420 13.107 110 1HG ARG 10 1HG ARG 10 0.347 -9.601 12.211 111 2HG ARG 10 2HG ARG 10 0.896 -8.081 12.920 112 1HD ARG 10 1HD ARG 10 -1.081 -8.839 14.711 113 2HD ARG 10 2HD ARG 10 -0.439 -10.402 14.228 114 HE ARG 10 HE ARG 10 0.825 -8.333 15.839 115 1HH1 ARG 10 1HH1 ARG 10 1.611 -11.089 13.846 116 2HH1 ARG 10 2HH1 ARG 10 3.197 -11.295 14.540 117 1HH2 ARG 10 1HH2 ARG 10 2.869 -8.590 16.698 118 2HH2 ARG 10 2HH2 ARG 10 3.889 -9.874 16.130 119 H MET 11 H MET 11 -3.777 -7.488 10.190 120 HA MET 11 HA MET 11 -5.784 -6.466 11.900 121 1HB MET 11 1HB MET 11 -5.884 -7.464 9.041 122 2HB MET 11 2HB MET 11 -7.254 -6.671 9.799 123 1HG MET 11 1HG MET 11 -4.557 -5.289 9.692 124 2HG MET 11 2HG MET 11 -5.611 -5.342 8.290 125 1HE MET 11 1HE MET 11 -5.783 -2.282 11.524 126 2HE MET 11 2HE MET 11 -5.427 -3.929 12.090 127 3HE MET 11 3HE MET 11 -4.428 -3.186 10.814 128 H THR 12 H THR 12 -5.594 -9.709 10.397 129 HA THR 12 HA THR 12 -7.463 -10.740 12.473 130 HB THR 12 HB THR 12 -8.941 -11.883 10.949 131 HG1 THR 12 HG1 THR 12 -7.513 -12.200 9.290 132 1HG2 THR 12 1HG2 THR 12 -9.628 -9.575 11.513 133 2HG2 THR 12 2HG2 THR 12 -8.852 -8.997 10.018 134 3HG2 THR 12 3HG2 THR 12 -10.219 -10.124 9.934 135 H GLY 13 H GLY 13 -4.750 -11.367 10.391 136 1HA GLY 13 1HA GLY 13 -3.466 -13.236 10.078 137 2HA GLY 13 2HA GLY 13 -4.445 -14.129 11.246 138 H ILE 14 H ILE 14 -6.937 -14.230 10.149 139 HA ILE 14 HA ILE 14 -6.831 -16.254 8.333 140 HB ILE 14 HB ILE 14 -9.053 -16.359 8.261 141 1HG1 ILE 14 1HG1 ILE 14 -10.658 -14.335 8.423 142 2HG1 ILE 14 2HG1 ILE 14 -9.313 -13.359 7.865 143 1HG2 ILE 14 1HG2 ILE 14 -8.366 -15.935 10.633 144 2HG2 ILE 14 2HG2 ILE 14 -8.934 -14.256 10.445 145 3HG2 ILE 14 3HG2 ILE 14 -10.063 -15.602 10.284 146 1HD1 ILE 14 1HD1 ILE 14 -9.307 -14.574 5.725 147 2HD1 ILE 14 2HD1 ILE 14 -10.385 -15.822 6.391 148 3HD1 ILE 14 3HD1 ILE 14 -10.980 -14.177 6.115 149 H ARG 15 H ARG 15 -7.054 -12.876 7.397 150 HA ARG 15 HA ARG 15 -7.204 -13.261 4.581 151 1HB ARG 15 1HB ARG 15 -7.007 -10.920 4.438 152 2HB ARG 15 2HB ARG 15 -7.831 -11.219 5.963 153 1HG ARG 15 1HG ARG 15 -5.200 -11.146 6.810 154 2HG ARG 15 2HG ARG 15 -5.146 -10.079 5.407 155 1HD ARG 15 1HD ARG 15 -6.883 -9.759 7.868 156 2HD ARG 15 2HD ARG 15 -5.452 -8.840 7.457 157 HE ARG 15 HE ARG 15 -8.155 -8.543 6.384 158 1HH1 ARG 15 1HH1 ARG 15 -4.845 -7.365 6.126 159 2HH1 ARG 15 2HH1 ARG 15 -5.222 -6.338 4.772 160 1HH2 ARG 15 1HH2 ARG 15 -8.607 -7.006 4.864 161 2HH2 ARG 15 2HH2 ARG 15 -7.357 -6.046 4.155 162 H GLU 16 H GLU 16 -4.423 -13.768 6.628 163 HA GLU 16 HA GLU 16 -2.324 -12.829 4.941 164 1HB GLU 16 1HB GLU 16 -2.146 -13.738 7.351 165 2HB GLU 16 2HB GLU 16 -2.146 -15.340 6.610 166 1HG GLU 16 1HG GLU 16 -0.243 -14.140 5.051 167 2HG GLU 16 2HG GLU 16 -0.087 -13.137 6.481 168 H ALA 17 H ALA 17 -3.890 -16.023 5.067 169 HA ALA 17 HA ALA 17 -2.534 -17.341 3.012 170 1HB ALA 17 1HB ALA 17 -4.568 -18.737 2.873 171 2HB ALA 17 2HB ALA 17 -4.124 -18.399 4.557 172 3HB ALA 17 3HB ALA 17 -5.474 -17.520 3.802 173 H THR 18 H THR 18 -5.169 -14.994 2.771 174 HA THR 18 HA THR 18 -5.515 -15.275 -0.108 175 HB THR 18 HB THR 18 -7.156 -14.324 1.892 176 HG1 THR 18 HG1 THR 18 -7.378 -13.671 -0.829 177 1HG2 THR 18 1HG2 THR 18 -6.402 -11.914 0.181 178 2HG2 THR 18 2HG2 THR 18 -7.867 -12.062 1.169 179 3HG2 THR 18 3HG2 THR 18 -6.284 -11.999 1.933 180 H LEU 19 H LEU 19 -3.927 -12.880 2.041 181 HA LEU 19 HA LEU 19 -3.024 -11.108 -0.011 182 1HB LEU 19 1HB LEU 19 -1.716 -11.814 2.648 183 2HB LEU 19 2HB LEU 19 -1.318 -10.427 1.638 184 HG LEU 19 HG LEU 19 -4.152 -10.700 2.659 185 1HD1 LEU 19 1HD1 LEU 19 -1.700 -9.970 4.267 186 2HD1 LEU 19 2HD1 LEU 19 -3.240 -9.161 4.588 187 3HD1 LEU 19 3HD1 LEU 19 -3.118 -10.912 4.729 188 1HD2 LEU 19 1HD2 LEU 19 -3.491 -8.935 1.005 189 2HD2 LEU 19 2HD2 LEU 19 -4.172 -8.335 2.530 190 3HD2 LEU 19 3HD2 LEU 19 -2.412 -8.249 2.243 191 H ARG 20 H ARG 20 -1.283 -13.828 1.562 192 HA ARG 20 HA ARG 20 0.956 -13.734 -0.282 193 1HB ARG 20 1HB ARG 20 1.809 -15.622 0.857 194 2HB ARG 20 2HB ARG 20 1.074 -14.562 2.037 195 1HG ARG 20 1HG ARG 20 0.275 -16.499 2.849 196 2HG ARG 20 2HG ARG 20 -1.036 -16.180 1.725 197 1HD ARG 20 1HD ARG 20 1.280 -17.772 0.693 198 2HD ARG 20 2HD ARG 20 0.275 -18.531 1.933 199 HE ARG 20 HE ARG 20 -1.632 -17.670 0.211 200 1HH1 ARG 20 1HH1 ARG 20 1.271 -19.562 -0.313 201 2HH1 ARG 20 2HH1 ARG 20 0.618 -20.444 -1.667 202 1HH2 ARG 20 1HH2 ARG 20 -2.449 -18.843 -1.525 203 2HH2 ARG 20 2HH2 ARG 20 -1.460 -20.018 -2.350 204 H ALA 21 H ALA 21 -2.189 -15.222 -0.561 205 HA ALA 21 HA ALA 21 -1.447 -16.871 -2.865 206 1HB ALA 21 1HB ALA 21 -3.858 -16.962 -3.327 207 2HB ALA 21 2HB ALA 21 -3.556 -17.355 -1.632 208 3HB ALA 21 3HB ALA 21 -4.183 -15.762 -2.070 209 H TRP 22 H TRP 22 -3.041 -13.627 -2.471 210 HA TRP 22 HA TRP 22 -3.180 -12.981 -5.189 211 1HB TRP 22 1HB TRP 22 -2.654 -11.059 -2.946 212 2HB TRP 22 2HB TRP 22 -3.279 -10.720 -4.569 213 HD1 TRP 22 HD1 TRP 22 -5.512 -13.163 -4.383 214 HE1 TRP 22 HE1 TRP 22 -7.712 -12.479 -3.228 215 HE3 TRP 22 HE3 TRP 22 -3.782 -9.288 -1.587 216 HZ2 TRP 22 HZ2 TRP 22 -8.596 -10.426 -1.427 217 HZ3 TRP 22 HZ3 TRP 22 -5.320 -7.953 -0.157 218 HH2 TRP 22 HH2 TRP 22 -7.744 -8.511 -0.068 219 H GLU 23 H GLU 23 -0.374 -12.410 -2.995 220 HA GLU 23 HA GLU 23 1.398 -11.107 -4.709 221 1HB GLU 23 1HB GLU 23 2.478 -11.466 -2.776 222 2HB GLU 23 2HB GLU 23 1.678 -13.004 -2.454 223 1HG GLU 23 1HG GLU 23 3.224 -14.200 -3.909 224 2HG GLU 23 2HG GLU 23 3.975 -12.688 -4.429 225 H ARG 24 H ARG 24 0.346 -14.454 -4.995 226 HA ARG 24 HA ARG 24 2.050 -14.825 -7.411 227 1HB ARG 24 1HB ARG 24 2.029 -16.268 -5.142 228 2HB ARG 24 2HB ARG 24 0.702 -17.092 -5.929 229 1HG ARG 24 1HG ARG 24 2.075 -18.127 -7.436 230 2HG ARG 24 2HG ARG 24 3.082 -16.705 -7.700 231 1HD ARG 24 1HD ARG 24 3.246 -18.558 -5.291 232 2HD ARG 24 2HD ARG 24 4.343 -18.545 -6.686 233 HE ARG 24 HE ARG 24 4.237 -15.940 -5.404 234 1HH1 ARG 24 1HH1 ARG 24 5.740 -19.070 -5.145 235 2HH1 ARG 24 2HH1 ARG 24 7.071 -18.490 -4.178 236 1HH2 ARG 24 1HH2 ARG 24 5.915 -15.254 -3.837 237 2HH2 ARG 24 2HH2 ARG 24 7.232 -16.349 -3.702 238 H ARG 25 H ARG 25 -1.159 -14.422 -6.497 239 HA ARG 25 HA ARG 25 -2.382 -15.659 -8.906 240 1HB ARG 25 1HB ARG 25 -3.271 -14.789 -6.230 241 2HB ARG 25 2HB ARG 25 -4.341 -14.246 -7.491 242 1HG ARG 25 1HG ARG 25 -4.685 -16.548 -8.253 243 2HG ARG 25 2HG ARG 25 -3.567 -17.130 -6.990 244 1HD ARG 25 1HD ARG 25 -5.023 -16.049 -5.256 245 2HD ARG 25 2HD ARG 25 -6.155 -15.559 -6.513 246 HE ARG 25 HE ARG 25 -5.833 -18.196 -5.325 247 1HH1 ARG 25 1HH1 ARG 25 -7.213 -16.532 -8.126 248 2HH1 ARG 25 2HH1 ARG 25 -8.243 -17.876 -8.509 249 1HH2 ARG 25 1HH2 ARG 25 -7.232 -19.837 -5.837 250 2HH2 ARG 25 2HH2 ARG 25 -8.276 -19.692 -7.213 251 H TYR 26 H TYR 26 -1.906 -12.362 -7.644 252 HA TYR 26 HA TYR 26 -2.656 -11.238 -10.325 253 1HB TYR 26 1HB TYR 26 -3.790 -10.057 -7.773 254 2HB TYR 26 2HB TYR 26 -4.208 -9.654 -9.429 255 HD1 TYR 26 HD1 TYR 26 -5.404 -11.509 -10.850 256 HD2 TYR 26 HD2 TYR 26 -5.043 -11.576 -6.555 257 HE1 TYR 26 HE1 TYR 26 -7.201 -13.237 -10.724 258 HE2 TYR 26 HE2 TYR 26 -6.774 -13.327 -6.439 259 HH TYR 26 HH TYR 26 -8.617 -14.283 -7.771 260 H GLY 27 H GLY 27 -0.937 -10.826 -7.290 261 1HA GLY 27 1HA GLY 27 1.009 -9.588 -6.988 262 2HA GLY 27 2HA GLY 27 0.564 -8.489 -8.290 263 H PHE 28 H PHE 28 -2.281 -8.384 -6.882 264 HA PHE 28 HA PHE 28 -1.720 -5.964 -5.391 265 1HB PHE 28 1HB PHE 28 -3.661 -5.975 -6.724 266 2HB PHE 28 2HB PHE 28 -4.194 -7.511 -6.087 267 HD1 PHE 28 HD1 PHE 28 -5.197 -7.684 -3.779 268 HD2 PHE 28 HD2 PHE 28 -4.262 -3.882 -5.601 269 HE1 PHE 28 HE1 PHE 28 -6.825 -6.572 -2.294 270 HE2 PHE 28 HE2 PHE 28 -5.829 -2.764 -4.040 271 HZ PHE 28 HZ PHE 28 -7.163 -4.109 -2.438 272 HA PRO 29 HA PRO 29 -2.109 -4.648 -3.629 273 1HB PRO 29 1HB PRO 29 -0.838 -4.004 -1.310 274 2HB PRO 29 2HB PRO 29 -2.599 -4.195 -1.448 275 1HG PRO 29 1HG PRO 29 -0.560 -6.227 -0.458 276 2HG PRO 29 2HG PRO 29 -2.093 -5.766 0.326 277 1HD PRO 29 1HD PRO 29 -1.851 -7.975 -1.268 278 2HD PRO 29 2HD PRO 29 -3.356 -7.009 -1.229 279 H ARG 30 H ARG 30 -0.312 -3.755 -4.573 280 HA ARG 30 HA ARG 30 1.937 -5.546 -5.047 281 1HB ARG 30 1HB ARG 30 0.872 -3.070 -6.314 282 2HB ARG 30 2HB ARG 30 2.638 -3.220 -6.334 283 1HG ARG 30 1HG ARG 30 2.511 -5.456 -7.332 284 2HG ARG 30 2HG ARG 30 0.749 -5.447 -7.183 285 1HD ARG 30 1HD ARG 30 1.163 -5.025 -9.429 286 2HD ARG 30 2HD ARG 30 0.664 -3.479 -8.719 287 HE ARG 30 HE ARG 30 3.558 -3.848 -8.782 288 1HH1 ARG 30 1HH1 ARG 30 0.849 -2.759 -10.677 289 2HH1 ARG 30 2HH1 ARG 30 1.823 -1.925 -11.858 290 1HH2 ARG 30 1HH2 ARG 30 4.823 -2.797 -10.338 291 2HH2 ARG 30 2HH2 ARG 30 4.048 -1.958 -11.649 292 HA PRO 31 HA PRO 31 4.134 -3.707 -1.627 293 1HB PRO 31 1HB PRO 31 6.489 -5.061 -1.790 294 2HB PRO 31 2HB PRO 31 4.945 -5.833 -1.294 295 1HG PRO 31 1HG PRO 31 6.181 -5.888 -4.050 296 2HG PRO 31 2HG PRO 31 5.600 -7.273 -3.064 297 1HD PRO 31 1HD PRO 31 4.032 -6.086 -4.946 298 2HD PRO 31 2HD PRO 31 3.341 -6.699 -3.412 299 H LEU 32 H LEU 32 5.596 -2.037 -1.388 300 HA LEU 32 HA LEU 32 6.126 -0.548 -3.824 301 1HB LEU 32 1HB LEU 32 7.458 0.181 -1.225 302 2HB LEU 32 2HB LEU 32 6.897 1.214 -2.525 303 HG LEU 32 HG LEU 32 5.235 -0.158 -0.389 304 1HD1 LEU 32 1HD1 LEU 32 4.683 2.090 0.297 305 2HD1 LEU 32 2HD1 LEU 32 6.445 1.931 0.205 306 3HD1 LEU 32 3HD1 LEU 32 5.562 2.775 -1.087 307 1HD2 LEU 32 1HD2 LEU 32 3.825 -0.279 -2.377 308 2HD2 LEU 32 2HD2 LEU 32 3.249 1.029 -1.359 309 3HD2 LEU 32 3HD2 LEU 32 4.212 1.403 -2.800 310 H ARG 33 H ARG 33 8.116 -0.096 -4.857 311 HA ARG 33 HA ARG 33 10.072 -2.243 -4.699 312 1HB ARG 33 1HB ARG 33 9.319 -1.118 -6.821 313 2HB ARG 33 2HB ARG 33 10.270 0.303 -6.358 314 1HG ARG 33 1HG ARG 33 12.327 -1.061 -6.333 315 2HG ARG 33 2HG ARG 33 11.391 -2.529 -6.645 316 1HD ARG 33 1HD ARG 33 11.385 -2.198 -8.853 317 2HD ARG 33 2HD ARG 33 10.762 -0.550 -8.677 318 HE ARG 33 HE ARG 33 13.551 -0.628 -8.020 319 1HH1 ARG 33 1HH1 ARG 33 11.477 -0.708 -10.828 320 2HH1 ARG 33 2HH1 ARG 33 12.668 0.003 -11.884 321 1HH2 ARG 33 1HH2 ARG 33 15.073 0.280 -9.395 322 2HH2 ARG 33 2HH2 ARG 33 14.679 0.542 -11.065 323 H SER 34 H SER 34 10.954 -2.184 -2.663 324 HA SER 34 HA SER 34 13.228 -0.401 -2.228 325 1HB SER 34 1HB SER 34 10.806 -0.336 -0.383 326 2HB SER 34 2HB SER 34 12.397 0.310 0.053 327 HG SER 34 HG SER 34 11.435 1.147 -2.412 328 H GLU 35 H GLU 35 13.888 -1.039 0.371 329 HA GLU 35 HA GLU 35 14.829 -3.701 0.070 330 1HB GLU 35 1HB GLU 35 16.096 -3.297 1.922 331 2HB GLU 35 2HB GLU 35 15.747 -1.640 1.435 332 1HG GLU 35 1HG GLU 35 13.780 -1.714 3.099 333 2HG GLU 35 2HG GLU 35 14.449 -3.248 3.678 334 H GLY 36 H GLY 36 14.539 -5.517 1.507 335 1HA GLY 36 1HA GLY 36 13.235 -6.506 3.369 336 2HA GLY 36 2HA GLY 36 11.784 -5.784 2.675 337 H ASN 37 H ASN 37 13.651 -8.550 2.831 338 HA ASN 37 HA ASN 37 12.505 -9.772 0.368 339 1HB ASN 37 1HB ASN 37 14.678 -10.630 2.329 340 2HB ASN 37 2HB ASN 37 13.996 -11.712 1.110 341 1HD2 ASN 37 1HD2 ASN 37 15.853 -11.965 -0.215 342 2HD2 ASN 37 2HD2 ASN 37 16.519 -10.544 -1.028 343 H ASN 38 H ASN 38 12.888 -10.843 3.778 344 HA ASN 38 HA ASN 38 10.671 -12.647 3.821 345 1HB ASN 38 1HB ASN 38 12.558 -12.728 5.395 346 2HB ASN 38 2HB ASN 38 12.151 -11.126 6.027 347 1HD2 ASN 38 1HD2 ASN 38 10.574 -10.979 7.700 348 2HD2 ASN 38 2HD2 ASN 38 9.735 -12.456 8.219 349 H TYR 39 H TYR 39 10.824 -9.195 4.153 350 HA TYR 39 HA TYR 39 7.972 -9.009 5.004 351 1HB TYR 39 1HB TYR 39 9.650 -6.603 5.348 352 2HB TYR 39 2HB TYR 39 8.463 -7.306 6.427 353 HD1 TYR 39 HD1 TYR 39 9.192 -8.817 8.242 354 HD2 TYR 39 HD2 TYR 39 12.000 -7.281 5.350 355 HE1 TYR 39 HE1 TYR 39 11.110 -9.596 9.664 356 HE2 TYR 39 HE2 TYR 39 13.893 -8.096 6.737 357 HH TYR 39 HH TYR 39 14.500 -9.217 8.668 358 H ARG 40 H ARG 40 6.720 -7.460 3.887 359 HA ARG 40 HA ARG 40 7.950 -6.168 1.482 360 1HB ARG 40 1HB ARG 40 5.326 -7.676 1.761 361 2HB ARG 40 2HB ARG 40 5.536 -6.389 0.603 362 1HG ARG 40 1HG ARG 40 6.017 -8.232 -0.682 363 2HG ARG 40 2HG ARG 40 7.642 -7.725 -0.205 364 1HD ARG 40 1HD ARG 40 7.558 -9.458 1.642 365 2HD ARG 40 2HD ARG 40 5.943 -9.916 1.062 366 HE ARG 40 HE ARG 40 8.100 -10.001 -0.929 367 1HH1 ARG 40 1HH1 ARG 40 6.345 -11.942 1.398 368 2HH1 ARG 40 2HH1 ARG 40 6.422 -13.368 0.395 369 1HH2 ARG 40 1HH2 ARG 40 8.327 -11.932 -2.065 370 2HH2 ARG 40 2HH2 ARG 40 7.358 -13.291 -1.577 371 H VAL 41 H VAL 41 7.615 -4.082 1.297 372 HA VAL 41 HA VAL 41 6.284 -2.502 3.388 373 HB VAL 41 HB VAL 41 7.181 -0.603 1.892 374 1HG1 VAL 41 1HG1 VAL 41 8.264 -1.231 3.982 375 2HG1 VAL 41 2HG1 VAL 41 9.172 -2.530 3.153 376 3HG1 VAL 41 3HG1 VAL 41 9.473 -0.828 2.752 377 1HG2 VAL 41 1HG2 VAL 41 8.985 -2.751 0.694 378 2HG2 VAL 41 2HG2 VAL 41 7.564 -2.111 -0.153 379 3HG2 VAL 41 3HG2 VAL 41 8.879 -1.032 0.300 380 H TYR 42 H TYR 42 4.499 -1.228 3.165 381 HA TYR 42 HA TYR 42 3.095 -1.042 0.541 382 1HB TYR 42 1HB TYR 42 2.125 -2.153 3.200 383 2HB TYR 42 2HB TYR 42 1.017 -1.609 1.937 384 HD1 TYR 42 HD1 TYR 42 3.129 -4.375 3.001 385 HD2 TYR 42 HD2 TYR 42 1.204 -2.523 -0.381 386 HE1 TYR 42 HE1 TYR 42 3.306 -6.516 1.692 387 HE2 TYR 42 HE2 TYR 42 1.430 -4.576 -1.628 388 HH TYR 42 HH TYR 42 1.817 -6.823 -1.554 389 H SER 43 H SER 43 1.519 0.557 0.355 390 HA SER 43 HA SER 43 1.757 2.853 2.199 391 1HB SER 43 1HB SER 43 0.631 4.081 0.479 392 2HB SER 43 2HB SER 43 1.830 3.060 -0.342 393 HG SER 43 HG SER 43 0.220 1.542 -0.845 394 H ARG 44 H ARG 44 -0.239 4.007 2.731 395 HA ARG 44 HA ARG 44 -2.259 2.368 3.993 396 1HB ARG 44 1HB ARG 44 -1.332 4.919 4.389 397 2HB ARG 44 2HB ARG 44 -2.763 5.273 3.439 398 1HG ARG 44 1HG ARG 44 -3.546 5.373 5.612 399 2HG ARG 44 2HG ARG 44 -4.040 3.747 5.153 400 1HD ARG 44 1HD ARG 44 -2.378 2.721 6.478 401 2HD ARG 44 2HD ARG 44 -1.326 4.131 6.469 402 HE ARG 44 HE ARG 44 -3.330 3.523 8.414 403 1HH1 ARG 44 1HH1 ARG 44 -1.951 6.286 6.814 404 2HH1 ARG 44 2HH1 ARG 44 -2.256 7.380 8.145 405 1HH2 ARG 44 1HH2 ARG 44 -3.694 4.939 10.133 406 2HH2 ARG 44 2HH2 ARG 44 -3.236 6.605 9.982 407 H GLU 45 H GLU 45 -2.077 3.910 0.803 408 HA GLU 45 HA GLU 45 -4.945 3.748 0.308 409 1HB GLU 45 1HB GLU 45 -4.381 4.377 -1.998 410 2HB GLU 45 2HB GLU 45 -3.778 5.495 -0.777 411 1HG GLU 45 1HG GLU 45 -1.517 4.573 -0.988 412 2HG GLU 45 2HG GLU 45 -2.082 3.415 -2.214 413 H GLU 46 H GLU 46 -2.143 1.626 -0.496 414 HA GLU 46 HA GLU 46 -3.752 -0.418 -1.765 415 1HB GLU 46 1HB GLU 46 -1.248 -0.640 -0.035 416 2HB GLU 46 2HB GLU 46 -2.114 -2.023 -0.629 417 1HG GLU 46 1HG GLU 46 -0.742 -1.985 -2.373 418 2HG GLU 46 2HG GLU 46 -1.857 -0.798 -3.009 419 H VAL 47 H VAL 47 -2.947 0.099 1.702 420 HA VAL 47 HA VAL 47 -4.495 -2.061 2.675 421 HB VAL 47 HB VAL 47 -3.545 0.464 4.038 422 1HG1 VAL 47 1HG1 VAL 47 -4.078 -0.699 6.198 423 2HG1 VAL 47 2HG1 VAL 47 -5.519 -0.186 5.318 424 3HG1 VAL 47 3HG1 VAL 47 -5.028 -1.894 5.286 425 1HG2 VAL 47 1HG2 VAL 47 -1.998 -1.146 5.098 426 2HG2 VAL 47 2HG2 VAL 47 -2.794 -2.482 4.231 427 3HG2 VAL 47 3HG2 VAL 47 -1.870 -1.259 3.336 428 H GLU 48 H GLU 48 -5.626 1.317 2.151 429 HA GLU 48 HA GLU 48 -8.246 1.050 3.175 430 1HB GLU 48 1HB GLU 48 -7.160 3.145 2.242 431 2HB GLU 48 2HB GLU 48 -7.464 2.507 0.628 432 1HG GLU 48 1HG GLU 48 -9.266 3.925 0.934 433 2HG GLU 48 2HG GLU 48 -9.967 2.367 1.360 434 H ALA 49 H ALA 49 -7.195 0.408 -0.207 435 HA ALA 49 HA ALA 49 -9.623 -0.765 -1.111 436 1HB ALA 49 1HB ALA 49 -6.754 -1.233 -2.044 437 2HB ALA 49 2HB ALA 49 -8.232 -1.671 -2.932 438 3HB ALA 49 3HB ALA 49 -7.856 0.037 -2.615 439 H VAL 50 H VAL 50 -6.631 -2.391 0.065 440 HA VAL 50 HA VAL 50 -7.521 -5.067 -0.092 441 HB VAL 50 HB VAL 50 -5.547 -3.702 1.754 442 1HG1 VAL 50 1HG1 VAL 50 -6.122 -6.661 1.481 443 2HG1 VAL 50 2HG1 VAL 50 -4.533 -6.039 1.990 444 3HG1 VAL 50 3HG1 VAL 50 -5.964 -5.672 2.948 445 1HG2 VAL 50 1HG2 VAL 50 -5.115 -3.806 -0.786 446 2HG2 VAL 50 2HG2 VAL 50 -3.885 -4.431 0.302 447 3HG2 VAL 50 3HG2 VAL 50 -4.962 -5.553 -0.576 448 H ARG 51 H ARG 51 -7.924 -2.780 2.640 449 HA ARG 51 HA ARG 51 -9.206 -4.635 4.434 450 1HB ARG 51 1HB ARG 51 -8.140 -2.519 5.111 451 2HB ARG 51 2HB ARG 51 -9.392 -1.600 4.280 452 1HG ARG 51 1HG ARG 51 -10.564 -3.568 6.138 453 2HG ARG 51 2HG ARG 51 -9.371 -2.584 6.968 454 1HD ARG 51 1HD ARG 51 -11.594 -1.393 5.264 455 2HD ARG 51 2HD ARG 51 -11.786 -1.735 6.992 456 HE ARG 51 HE ARG 51 -9.577 -0.252 7.117 457 1HH1 ARG 51 1HH1 ARG 51 -12.371 0.544 5.053 458 2HH1 ARG 51 2HH1 ARG 51 -11.556 2.078 4.676 459 1HH2 ARG 51 1HH2 ARG 51 -9.045 1.983 6.835 460 2HH2 ARG 51 2HH2 ARG 51 -9.926 2.728 5.489 461 H ARG 52 H ARG 52 -10.584 -2.347 2.024 462 HA ARG 52 HA ARG 52 -13.324 -3.235 2.384 463 1HB ARG 52 1HB ARG 52 -11.843 -1.617 0.352 464 2HB ARG 52 2HB ARG 52 -13.199 -2.548 -0.290 465 1HG ARG 52 1HG ARG 52 -14.636 -1.585 1.600 466 2HG ARG 52 2HG ARG 52 -13.276 -0.508 1.953 467 1HD ARG 52 1HD ARG 52 -14.533 0.821 0.555 468 2HD ARG 52 2HD ARG 52 -13.438 0.080 -0.626 469 HE ARG 52 HE ARG 52 -15.670 -1.611 -0.503 470 1HH1 ARG 52 1HH1 ARG 52 -15.141 1.713 -1.428 471 2HH1 ARG 52 2HH1 ARG 52 -16.601 1.819 -2.367 472 1HH2 ARG 52 1HH2 ARG 52 -17.577 -1.448 -1.709 473 2HH2 ARG 52 2HH2 ARG 52 -17.936 0.040 -2.522 474 H VAL 53 H VAL 53 -10.884 -4.277 -0.004 475 HA VAL 53 HA VAL 53 -12.391 -6.267 -1.279 476 HB VAL 53 HB VAL 53 -9.384 -6.208 -0.800 477 1HG1 VAL 53 1HG1 VAL 53 -11.074 -7.977 -2.589 478 2HG1 VAL 53 2HG1 VAL 53 -9.331 -7.726 -2.838 479 3HG1 VAL 53 3HG1 VAL 53 -9.903 -8.447 -1.344 480 1HG2 VAL 53 1HG2 VAL 53 -9.779 -5.643 -3.468 481 2HG2 VAL 53 2HG2 VAL 53 -11.201 -4.870 -2.746 482 3HG2 VAL 53 3HG2 VAL 53 -9.577 -4.432 -2.225 483 H ALA 54 H ALA 54 -10.199 -6.827 1.557 484 HA ALA 54 HA ALA 54 -10.901 -9.551 1.937 485 1HB ALA 54 1HB ALA 54 -9.979 -9.239 4.179 486 2HB ALA 54 2HB ALA 54 -8.972 -8.423 2.962 487 3HB ALA 54 3HB ALA 54 -10.099 -7.472 3.979 488 H ARG 55 H ARG 55 -12.549 -6.602 3.216 489 HA ARG 55 HA ARG 55 -14.389 -8.153 4.849 490 1HB ARG 55 1HB ARG 55 -13.730 -5.735 5.229 491 2HB ARG 55 2HB ARG 55 -14.753 -5.300 3.847 492 1HG ARG 55 1HG ARG 55 -16.706 -6.359 5.005 493 2HG ARG 55 2HG ARG 55 -15.676 -6.761 6.383 494 1HD ARG 55 1HD ARG 55 -16.046 -3.916 5.375 495 2HD ARG 55 2HD ARG 55 -17.156 -4.666 6.536 496 HE ARG 55 HE ARG 55 -14.724 -5.082 7.709 497 1HH1 ARG 55 1HH1 ARG 55 -16.319 -2.188 6.599 498 2HH1 ARG 55 2HH1 ARG 55 -15.684 -1.183 7.874 499 1HH2 ARG 55 1HH2 ARG 55 -13.950 -3.786 9.389 500 2HH2 ARG 55 2HH2 ARG 55 -14.355 -2.099 9.423 501 H LEU 56 H LEU 56 -14.673 -6.701 1.588 502 HA LEU 56 HA LEU 56 -17.318 -7.713 1.011 503 1HB LEU 56 1HB LEU 56 -14.974 -6.616 -0.523 504 2HB LEU 56 2HB LEU 56 -16.128 -7.570 -1.424 505 HG LEU 56 HG LEU 56 -17.291 -5.469 0.379 506 1HD1 LEU 56 1HD1 LEU 56 -15.948 -4.795 -2.270 507 2HD1 LEU 56 2HD1 LEU 56 -17.035 -3.737 -1.347 508 3HD1 LEU 56 3HD1 LEU 56 -15.469 -4.215 -0.656 509 1HD2 LEU 56 1HD2 LEU 56 -17.926 -6.311 -2.495 510 2HD2 LEU 56 2HD2 LEU 56 -18.658 -7.039 -1.052 511 3HD2 LEU 56 3HD2 LEU 56 -18.940 -5.335 -1.407 512 H ILE 57 H ILE 57 -14.082 -9.210 0.638 513 HA ILE 57 HA ILE 57 -14.937 -11.653 -0.534 514 HB ILE 57 HB ILE 57 -12.614 -10.795 1.158 515 1HG1 ILE 57 1HG1 ILE 57 -12.734 -12.041 -1.609 516 2HG1 ILE 57 2HG1 ILE 57 -12.971 -10.321 -1.335 517 1HG2 ILE 57 1HG2 ILE 57 -13.068 -13.699 0.372 518 2HG2 ILE 57 2HG2 ILE 57 -11.516 -13.020 0.892 519 3HG2 ILE 57 3HG2 ILE 57 -12.869 -13.040 2.007 520 1HD1 ILE 57 1HD1 ILE 57 -10.761 -10.182 -0.208 521 2HD1 ILE 57 2HD1 ILE 57 -10.454 -11.865 -0.656 522 3HD1 ILE 57 3HD1 ILE 57 -10.705 -10.640 -1.918 523 H GLN 58 H GLN 58 -15.078 -10.676 2.912 524 HA GLN 58 HA GLN 58 -15.870 -13.266 3.846 525 1HB GLN 58 1HB GLN 58 -15.787 -10.520 4.939 526 2HB GLN 58 2HB GLN 58 -17.158 -11.437 5.540 527 1HG GLN 58 1HG GLN 58 -14.228 -12.257 5.699 528 2HG GLN 58 2HG GLN 58 -15.224 -11.633 7.015 529 1HE2 GLN 58 1HE2 GLN 58 -14.241 -14.563 5.375 530 2HE2 GLN 58 2HE2 GLN 58 -15.434 -15.553 6.227 531 H GLU 59 H GLU 59 -17.676 -11.076 1.832 532 HA GLU 59 HA GLU 59 -20.270 -12.222 2.608 533 1HB GLU 59 1HB GLU 59 -19.614 -10.458 0.220 534 2HB GLU 59 2HB GLU 59 -21.195 -10.795 0.923 535 1HG GLU 59 1HG GLU 59 -20.402 -9.700 3.071 536 2HG GLU 59 2HG GLU 59 -18.923 -9.229 2.229 537 H GLU 60 H GLU 60 -17.769 -12.949 0.284 538 HA GLU 60 HA GLU 60 -19.131 -15.373 -0.568 539 1HB GLU 60 1HB GLU 60 -20.314 -13.900 -2.089 540 2HB GLU 60 2HB GLU 60 -18.809 -13.140 -2.624 541 1HG GLU 60 1HG GLU 60 -18.082 -15.185 -3.718 542 2HG GLU 60 2HG GLU 60 -19.400 -16.108 -2.986 543 H GLY 61 H GLY 61 -16.625 -13.112 -1.692 544 1HA GLY 61 1HA GLY 61 -14.245 -13.726 -1.442 545 2HA GLY 61 2HA GLY 61 -14.649 -15.379 -1.882 546 H LEU 62 H LEU 62 -16.537 -14.096 -4.040 547 HA LEU 62 HA LEU 62 -14.979 -14.053 -6.367 548 1HB LEU 62 1HB LEU 62 -17.344 -14.135 -6.518 549 2HB LEU 62 2HB LEU 62 -17.542 -12.705 -5.509 550 HG LEU 62 HG LEU 62 -16.748 -11.248 -7.286 551 1HD1 LEU 62 1HD1 LEU 62 -16.487 -12.068 -9.602 552 2HD1 LEU 62 2HD1 LEU 62 -15.251 -12.782 -8.565 553 3HD1 LEU 62 3HD1 LEU 62 -16.664 -13.747 -9.046 554 1HD2 LEU 62 1HD2 LEU 62 -19.146 -11.811 -7.054 555 2HD2 LEU 62 2HD2 LEU 62 -18.686 -11.407 -8.722 556 3HD2 LEU 62 3HD2 LEU 62 -18.946 -13.107 -8.245 557 H SER 63 H SER 63 -15.642 -11.341 -4.149 558 HA SER 63 HA SER 63 -14.261 -9.306 -5.460 559 1HB SER 63 1HB SER 63 -14.846 -9.782 -2.550 560 2HB SER 63 2HB SER 63 -13.916 -8.367 -3.103 561 HG SER 63 HG SER 63 -16.008 -7.728 -3.272 562 H VAL 64 H VAL 64 -12.696 -12.129 -4.174 563 HA VAL 64 HA VAL 64 -10.025 -11.072 -3.989 564 HB VAL 64 HB VAL 64 -11.122 -13.764 -4.899 565 1HG1 VAL 64 1HG1 VAL 64 -8.626 -14.467 -4.741 566 2HG1 VAL 64 2HG1 VAL 64 -9.217 -13.668 -6.198 567 3HG1 VAL 64 3HG1 VAL 64 -8.305 -12.729 -5.015 568 1HG2 VAL 64 1HG2 VAL 64 -11.166 -13.392 -2.475 569 2HG2 VAL 64 2HG2 VAL 64 -9.917 -14.564 -2.861 570 3HG2 VAL 64 3HG2 VAL 64 -9.462 -12.888 -2.485 571 H SER 65 H SER 65 -11.785 -12.337 -6.900 572 HA SER 65 HA SER 65 -9.631 -11.152 -8.579 573 1HB SER 65 1HB SER 65 -10.802 -13.400 -9.046 574 2HB SER 65 2HB SER 65 -12.166 -12.421 -9.634 575 HG SER 65 HG SER 65 -10.686 -12.897 -11.310 576 H GLU 66 H GLU 66 -13.116 -10.671 -7.873 577 HA GLU 66 HA GLU 66 -13.557 -8.706 -9.854 578 1HB GLU 66 1HB GLU 66 -15.219 -10.140 -8.473 579 2HB GLU 66 2HB GLU 66 -15.128 -8.859 -7.271 580 1HG GLU 66 1HG GLU 66 -16.901 -8.072 -8.441 581 2HG GLU 66 2HG GLU 66 -15.631 -7.302 -9.391 582 H ALA 67 H ALA 67 -12.920 -8.150 -6.279 583 HA ALA 67 HA ALA 67 -13.171 -5.299 -6.698 584 1HB ALA 67 1HB ALA 67 -13.816 -6.434 -4.595 585 2HB ALA 67 2HB ALA 67 -12.083 -6.682 -4.252 586 3HB ALA 67 3HB ALA 67 -12.745 -5.040 -4.400 587 H ILE 68 H ILE 68 -10.503 -7.592 -6.783 588 HA ILE 68 HA ILE 68 -8.373 -5.619 -6.926 589 HB ILE 68 HB ILE 68 -8.520 -8.498 -7.890 590 1HG1 ILE 68 1HG1 ILE 68 -7.105 -7.060 -5.606 591 2HG1 ILE 68 2HG1 ILE 68 -8.516 -8.074 -5.425 592 1HG2 ILE 68 1HG2 ILE 68 -6.057 -8.311 -8.259 593 2HG2 ILE 68 2HG2 ILE 68 -6.953 -7.287 -9.364 594 3HG2 ILE 68 3HG2 ILE 68 -6.152 -6.561 -7.949 595 1HD1 ILE 68 1HD1 ILE 68 -6.678 -9.381 -4.697 596 2HD1 ILE 68 2HD1 ILE 68 -7.111 -10.037 -6.284 597 3HD1 ILE 68 3HD1 ILE 68 -5.705 -9.001 -6.122 598 H ALA 69 H ALA 69 -10.252 -7.377 -9.515 599 HA ALA 69 HA ALA 69 -9.182 -5.905 -11.672 600 1HB ALA 69 1HB ALA 69 -10.485 -7.966 -11.929 601 2HB ALA 69 2HB ALA 69 -11.952 -7.136 -11.367 602 3HB ALA 69 3HB ALA 69 -11.182 -6.650 -12.894 603 H GLN 70 H GLN 70 -12.059 -5.140 -9.667 604 HA GLN 70 HA GLN 70 -12.814 -2.655 -10.775 605 1HB GLN 70 1HB GLN 70 -12.916 -3.702 -7.954 606 2HB GLN 70 2HB GLN 70 -13.564 -2.136 -8.397 607 1HG GLN 70 1HG GLN 70 -15.173 -3.062 -9.895 608 2HG GLN 70 2HG GLN 70 -14.457 -4.669 -9.808 609 1HE2 GLN 70 1HE2 GLN 70 -16.552 -5.586 -9.115 610 2HE2 GLN 70 2HE2 GLN 70 -17.073 -5.246 -7.461 611 H VAL 71 H VAL 71 -10.656 -2.973 -7.835 612 HA VAL 71 HA VAL 71 -9.950 -0.230 -8.002 613 HB VAL 71 HB VAL 71 -9.794 -1.796 -6.004 614 1HG1 VAL 71 1HG1 VAL 71 -8.215 -3.439 -7.094 615 2HG1 VAL 71 2HG1 VAL 71 -6.930 -2.223 -6.934 616 3HG1 VAL 71 3HG1 VAL 71 -7.749 -2.873 -5.494 617 1HG2 VAL 71 1HG2 VAL 71 -7.578 0.219 -6.540 618 2HG2 VAL 71 2HG2 VAL 71 -9.184 0.536 -5.850 619 3HG2 VAL 71 3HG2 VAL 71 -8.004 -0.438 -4.957 620 H LYS 72 H LYS 72 -8.540 -2.931 -9.749 621 HA LYS 72 HA LYS 72 -6.254 -1.392 -10.752 622 1HB LYS 72 1HB LYS 72 -7.583 -3.971 -11.688 623 2HB LYS 72 2HB LYS 72 -6.217 -3.230 -12.505 624 1HG LYS 72 1HG LYS 72 -5.516 -3.412 -9.715 625 2HG LYS 72 2HG LYS 72 -6.200 -4.967 -10.186 626 1HD LYS 72 1HD LYS 72 -3.951 -3.540 -11.647 627 2HD LYS 72 2HD LYS 72 -3.725 -4.843 -10.479 628 1HE LYS 72 1HE LYS 72 -5.661 -5.470 -12.652 629 2HE LYS 72 2HE LYS 72 -4.034 -5.130 -13.239 630 1HZ LYS 72 1HZ LYS 72 -3.187 -6.850 -11.770 631 2HZ LYS 72 2HZ LYS 72 -4.689 -7.148 -11.172 632 3HZ LYS 72 3HZ LYS 72 -4.349 -7.478 -12.747 633 H THR 73 H THR 73 -9.598 -1.886 -11.963 634 HA THR 73 HA THR 73 -8.939 -0.355 -14.403 635 HB THR 73 HB THR 73 -10.536 -2.255 -14.479 636 HG1 THR 73 HG1 THR 73 -10.443 -0.538 -16.007 637 1HG2 THR 73 1HG2 THR 73 -12.380 -0.401 -12.922 638 2HG2 THR 73 2HG2 THR 73 -12.981 -1.627 -14.050 639 3HG2 THR 73 3HG2 THR 73 -12.018 -2.119 -12.662 640 H GLU 74 H GLU 74 -10.397 0.312 -11.269 641 HA GLU 74 HA GLU 74 -11.310 2.972 -11.862 642 1HB GLU 74 1HB GLU 74 -10.575 1.471 -9.321 643 2HB GLU 74 2HB GLU 74 -11.067 3.161 -9.280 644 1HG GLU 74 1HG GLU 74 -13.209 2.645 -10.329 645 2HG GLU 74 2HG GLU 74 -12.765 0.949 -10.513 646 HA PRO 75 HA PRO 75 -7.459 5.184 -11.694 647 1HB PRO 75 1HB PRO 75 -8.217 7.673 -10.835 648 2HB PRO 75 2HB PRO 75 -8.624 7.021 -12.453 649 1HG PRO 75 1HG PRO 75 -10.369 7.087 -9.977 650 2HG PRO 75 2HG PRO 75 -10.805 7.528 -11.658 651 1HD PRO 75 1HD PRO 75 -11.365 5.076 -10.551 652 2HD PRO 75 2HD PRO 75 -11.014 5.283 -12.294 653 HA PRO 76 HA PRO 76 -6.393 4.692 -7.288 654 1HB PRO 76 1HB PRO 76 -3.698 5.057 -7.388 655 2HB PRO 76 2HB PRO 76 -4.508 3.606 -8.045 656 1HG PRO 76 1HG PRO 76 -3.633 6.082 -9.571 657 2HG PRO 76 2HG PRO 76 -3.313 4.362 -9.971 658 1HD PRO 76 1HD PRO 76 -5.375 5.764 -11.092 659 2HD PRO 76 2HD PRO 76 -5.525 4.022 -10.706 660 H ARG 77 H ARG 77 -7.794 6.670 -7.250 661 HA ARG 77 HA ARG 77 -6.404 8.737 -5.701 662 1HB ARG 77 1HB ARG 77 -6.692 9.301 -8.374 663 2HB ARG 77 2HB ARG 77 -8.267 9.823 -7.812 664 1HG ARG 77 1HG ARG 77 -6.854 11.724 -7.784 665 2HG ARG 77 2HG ARG 77 -7.056 11.276 -6.081 666 1HD ARG 77 1HD ARG 77 -4.851 10.262 -6.021 667 2HD ARG 77 2HD ARG 77 -4.703 10.342 -7.786 668 HE ARG 77 HE ARG 77 -5.074 12.974 -6.884 669 1HH1 ARG 77 1HH1 ARG 77 -2.640 10.510 -6.505 670 2HH1 ARG 77 2HH1 ARG 77 -1.311 11.636 -6.416 671 1HH2 ARG 77 1HH2 ARG 77 -3.362 14.427 -6.796 672 2HH2 ARG 77 2HH2 ARG 77 -1.740 13.843 -6.577 673 H GLU 78 H GLU 78 -7.563 8.900 -3.891 674 HA GLU 78 HA GLU 78 -10.458 8.342 -3.771 675 1HB GLU 78 1HB GLU 78 -8.737 7.562 -2.057 676 2HB GLU 78 2HB GLU 78 -8.566 9.231 -1.547 677 1HG GLU 78 1HG GLU 78 -11.355 8.048 -1.662 678 2HG GLU 78 2HG GLU 78 -10.264 7.386 -0.467 Start of MODEL 7 1 1H GLY -2 1H GLY -2 7.965 18.601 4.790 2 2H GLY -2 2H GLY -2 7.495 19.571 6.028 3 3H GLY -2 3H GLY -2 6.363 18.938 5.025 4 1HA GLY -2 1HA GLY -2 7.877 17.691 7.159 5 2HA GLY -2 2HA GLY -2 6.151 17.527 6.840 6 H SER -1 H SER -1 5.605 15.444 5.855 7 HA SER -1 HA SER -1 7.835 13.705 4.969 8 1HB SER -1 1HB SER -1 7.740 12.499 7.132 9 2HB SER -1 2HB SER -1 8.131 14.208 7.360 10 HG SER -1 HG SER -1 5.786 12.843 8.029 11 H HIS 0 H HIS 0 7.097 11.197 5.470 12 HA HIS 0 HA HIS 0 4.252 10.671 5.036 13 1HB HIS 0 1HB HIS 0 4.294 10.099 2.907 14 2HB HIS 0 2HB HIS 0 5.887 10.779 2.784 15 HD1 HIS 0 HD1 HIS 0 4.157 7.301 2.997 16 HD2 HIS 0 HD2 HIS 0 7.925 9.090 2.319 17 HE1 HIS 0 HE1 HIS 0 5.600 5.508 2.008 18 HE2 HIS 0 HE2 HIS 0 7.925 6.557 1.599 19 H MET 1 H MET 1 3.732 8.244 5.089 20 HA MET 1 HA MET 1 5.190 6.821 7.261 21 1HB MET 1 1HB MET 1 2.414 7.459 6.693 22 2HB MET 1 2HB MET 1 2.580 5.724 6.590 23 1HG MET 1 1HG MET 1 3.690 5.765 8.865 24 2HG MET 1 2HG MET 1 3.201 7.463 8.984 25 1HE MET 1 1HE MET 1 0.949 8.341 9.084 26 2HE MET 1 2HE MET 1 -0.489 7.446 9.623 27 3HE MET 1 3HE MET 1 0.886 7.654 10.725 28 H THR 2 H THR 2 5.417 4.435 7.250 29 HA THR 2 HA THR 2 5.109 2.964 4.657 30 HB THR 2 HB THR 2 7.389 2.017 5.048 31 HG1 THR 2 HG1 THR 2 7.288 2.659 7.316 32 1HG2 THR 2 1HG2 THR 2 7.239 3.873 3.455 33 2HG2 THR 2 2HG2 THR 2 7.444 5.050 4.783 34 3HG2 THR 2 3HG2 THR 2 8.756 3.933 4.378 35 H LEU 3 H LEU 3 4.421 0.781 4.934 36 HA LEU 3 HA LEU 3 4.976 -0.620 7.476 37 1HB LEU 3 1HB LEU 3 2.152 -0.615 6.351 38 2HB LEU 3 2HB LEU 3 2.735 -1.279 7.864 39 HG LEU 3 HG LEU 3 3.314 1.300 8.389 40 1HD1 LEU 3 1HD1 LEU 3 1.510 2.772 7.535 41 2HD1 LEU 3 2HD1 LEU 3 2.497 2.194 6.196 42 3HD1 LEU 3 3HD1 LEU 3 0.916 1.456 6.497 43 1HD2 LEU 3 1HD2 LEU 3 0.575 0.045 8.644 44 2HD2 LEU 3 2HD2 LEU 3 1.928 0.018 9.819 45 3HD2 LEU 3 3HD2 LEU 3 1.109 1.528 9.470 46 H ARG 4 H ARG 4 4.075 -3.045 7.249 47 HA ARG 4 HA ARG 4 4.865 -4.091 4.562 48 1HB ARG 4 1HB ARG 4 5.777 -6.053 5.650 49 2HB ARG 4 2HB ARG 4 6.592 -4.600 6.167 50 1HG ARG 4 1HG ARG 4 4.403 -5.652 7.949 51 2HG ARG 4 2HG ARG 4 5.903 -6.559 7.810 52 1HD ARG 4 1HD ARG 4 6.953 -4.075 8.180 53 2HD ARG 4 2HD ARG 4 5.444 -3.873 9.057 54 HE ARG 4 HE ARG 4 7.765 -5.472 9.751 55 1HH1 ARG 4 1HH1 ARG 4 4.299 -5.191 10.458 56 2HH1 ARG 4 2HH1 ARG 4 4.463 -6.120 11.923 57 1HH2 ARG 4 1HH2 ARG 4 7.876 -6.632 11.617 58 2HH2 ARG 4 2HH2 ARG 4 6.454 -6.901 12.575 59 H ILE 5 H ILE 5 4.014 -6.266 3.927 60 HA ILE 5 HA ILE 5 1.240 -6.537 4.146 61 HB ILE 5 HB ILE 5 2.810 -7.752 2.490 62 1HG1 ILE 5 1HG1 ILE 5 1.224 -9.587 2.084 63 2HG1 ILE 5 2HG1 ILE 5 0.417 -9.240 3.609 64 1HG2 ILE 5 1HG2 ILE 5 4.158 -9.020 4.174 65 2HG2 ILE 5 2HG2 ILE 5 2.710 -10.011 4.499 66 3HG2 ILE 5 3HG2 ILE 5 3.442 -10.010 2.897 67 1HD1 ILE 5 1HD1 ILE 5 0.689 -6.898 1.779 68 2HD1 ILE 5 2HD1 ILE 5 -0.297 -8.227 1.160 69 3HD1 ILE 5 3HD1 ILE 5 -0.716 -7.462 2.705 70 H ARG 6 H ARG 6 3.703 -7.937 6.229 71 HA ARG 6 HA ARG 6 2.060 -9.631 7.770 72 1HB ARG 6 1HB ARG 6 4.761 -8.870 7.861 73 2HB ARG 6 2HB ARG 6 4.115 -8.216 9.372 74 1HG ARG 6 1HG ARG 6 3.048 -10.541 9.736 75 2HG ARG 6 2HG ARG 6 4.041 -11.092 8.370 76 1HD ARG 6 1HD ARG 6 6.090 -10.438 9.581 77 2HD ARG 6 2HD ARG 6 5.102 -9.807 10.921 78 HE ARG 6 HE ARG 6 4.407 -12.533 10.409 79 1HH1 ARG 6 1HH1 ARG 6 7.092 -10.771 11.781 80 2HH1 ARG 6 2HH1 ARG 6 7.520 -12.049 12.886 81 1HH2 ARG 6 1HH2 ARG 6 4.994 -14.173 11.815 82 2HH2 ARG 6 2HH2 ARG 6 6.342 -13.947 12.885 83 H THR 7 H THR 7 2.528 -6.133 8.053 84 HA THR 7 HA THR 7 0.978 -5.729 10.471 85 HB THR 7 HB THR 7 1.679 -3.790 8.236 86 HG1 THR 7 HG1 THR 7 3.095 -3.178 10.144 87 1HG2 THR 7 1HG2 THR 7 1.305 -2.046 9.809 88 2HG2 THR 7 2HG2 THR 7 -0.161 -3.002 9.763 89 3HG2 THR 7 3HG2 THR 7 0.964 -3.185 11.128 90 H ILE 8 H ILE 8 0.280 -5.634 6.955 91 HA ILE 8 HA ILE 8 -2.459 -4.792 7.193 92 HB ILE 8 HB ILE 8 -1.246 -6.505 4.975 93 1HG1 ILE 8 1HG1 ILE 8 -1.365 -3.477 5.258 94 2HG1 ILE 8 2HG1 ILE 8 0.091 -4.434 5.371 95 1HG2 ILE 8 1HG2 ILE 8 -3.745 -6.382 5.002 96 2HG2 ILE 8 2HG2 ILE 8 -3.637 -4.602 4.971 97 3HG2 ILE 8 3HG2 ILE 8 -3.066 -5.577 3.604 98 1HD1 ILE 8 1HD1 ILE 8 -0.014 -3.371 3.220 99 2HD1 ILE 8 2HD1 ILE 8 -0.063 -5.124 3.040 100 3HD1 ILE 8 3HD1 ILE 8 -1.544 -4.171 2.837 101 H ALA 9 H ALA 9 -1.016 -8.054 6.791 102 HA ALA 9 HA ALA 9 -3.390 -9.539 7.097 103 1HB ALA 9 1HB ALA 9 -2.022 -11.351 7.054 104 2HB ALA 9 2HB ALA 9 -0.901 -10.176 6.382 105 3HB ALA 9 3HB ALA 9 -0.767 -10.639 8.091 106 H ARG 10 H ARG 10 -1.054 -8.500 9.583 107 HA ARG 10 HA ARG 10 -2.016 -9.625 11.907 108 1HB ARG 10 1HB ARG 10 -0.566 -7.105 11.202 109 2HB ARG 10 2HB ARG 10 -1.215 -7.159 12.815 110 1HG ARG 10 1HG ARG 10 0.443 -9.472 11.756 111 2HG ARG 10 2HG ARG 10 1.206 -8.012 12.419 112 1HD ARG 10 1HD ARG 10 0.157 -8.276 14.541 113 2HD ARG 10 2HD ARG 10 -0.947 -9.526 13.935 114 HE ARG 10 HE ARG 10 1.621 -10.532 13.513 115 1HH1 ARG 10 1HH1 ARG 10 -0.291 -9.612 16.281 116 2HH1 ARG 10 2HH1 ARG 10 0.417 -10.799 17.339 117 1HH2 ARG 10 1HH2 ARG 10 2.507 -12.096 14.879 118 2HH2 ARG 10 2HH2 ARG 10 1.984 -12.181 16.533 119 H MET 11 H MET 11 -3.805 -7.240 10.154 120 HA MET 11 HA MET 11 -5.593 -6.238 12.118 121 1HB MET 11 1HB MET 11 -5.949 -7.163 9.251 122 2HB MET 11 2HB MET 11 -7.308 -6.533 10.168 123 1HG MET 11 1HG MET 11 -4.754 -4.925 9.908 124 2HG MET 11 2HG MET 11 -5.975 -4.928 8.646 125 1HE MET 11 1HE MET 11 -4.525 -3.256 11.232 126 2HE MET 11 2HE MET 11 -5.568 -1.819 11.204 127 3HE MET 11 3HE MET 11 -5.693 -2.979 12.542 128 H THR 12 H THR 12 -5.478 -9.473 10.648 129 HA THR 12 HA THR 12 -7.036 -10.637 12.830 130 HB THR 12 HB THR 12 -8.940 -9.655 11.728 131 HG1 THR 12 HG1 THR 12 -8.537 -12.371 11.665 132 1HG2 THR 12 1HG2 THR 12 -7.948 -11.002 9.194 133 2HG2 THR 12 2HG2 THR 12 -9.565 -10.288 9.401 134 3HG2 THR 12 3HG2 THR 12 -8.136 -9.253 9.489 135 H GLY 13 H GLY 13 -4.893 -11.121 10.201 136 1HA GLY 13 1HA GLY 13 -3.852 -12.929 9.371 137 2HA GLY 13 2HA GLY 13 -4.534 -13.905 10.665 138 H ILE 14 H ILE 14 -7.379 -13.307 9.696 139 HA ILE 14 HA ILE 14 -7.725 -15.532 8.075 140 HB ILE 14 HB ILE 14 -9.410 -14.001 9.423 141 1HG1 ILE 14 1HG1 ILE 14 -9.715 -16.328 8.610 142 2HG1 ILE 14 2HG1 ILE 14 -11.171 -15.367 8.771 143 1HG2 ILE 14 1HG2 ILE 14 -9.511 -12.093 7.860 144 2HG2 ILE 14 2HG2 ILE 14 -10.172 -13.146 6.598 145 3HG2 ILE 14 3HG2 ILE 14 -11.081 -12.861 8.091 146 1HD1 ILE 14 1HD1 ILE 14 -11.070 -16.863 6.738 147 2HD1 ILE 14 2HD1 ILE 14 -11.448 -15.167 6.400 148 3HD1 ILE 14 3HD1 ILE 14 -9.821 -15.803 6.075 149 H ARG 15 H ARG 15 -7.572 -12.183 6.943 150 HA ARG 15 HA ARG 15 -7.542 -12.878 4.137 151 1HB ARG 15 1HB ARG 15 -6.779 -10.615 3.701 152 2HB ARG 15 2HB ARG 15 -8.160 -10.616 4.777 153 1HG ARG 15 1HG ARG 15 -5.506 -10.634 6.169 154 2HG ARG 15 2HG ARG 15 -5.787 -9.219 5.163 155 1HD ARG 15 1HD ARG 15 -7.898 -10.171 7.106 156 2HD ARG 15 2HD ARG 15 -6.525 -9.215 7.683 157 HE ARG 15 HE ARG 15 -8.813 -8.301 6.142 158 1HH1 ARG 15 1HH1 ARG 15 -5.443 -7.389 6.970 159 2HH1 ARG 15 2HH1 ARG 15 -5.685 -5.806 6.387 160 1HH2 ARG 15 1HH2 ARG 15 -8.997 -6.178 5.551 161 2HH2 ARG 15 2HH2 ARG 15 -7.580 -5.156 5.589 162 H GLU 16 H GLU 16 -5.006 -13.390 6.501 163 HA GLU 16 HA GLU 16 -2.730 -12.661 4.930 164 1HB GLU 16 1HB GLU 16 -2.761 -13.364 7.408 165 2HB GLU 16 2HB GLU 16 -2.817 -15.021 6.822 166 1HG GLU 16 1HG GLU 16 -0.724 -13.805 5.325 167 2HG GLU 16 2HG GLU 16 -0.556 -13.138 6.934 168 H ALA 17 H ALA 17 -4.439 -15.744 5.237 169 HA ALA 17 HA ALA 17 -3.086 -17.333 3.369 170 1HB ALA 17 1HB ALA 17 -6.039 -17.269 4.134 171 2HB ALA 17 2HB ALA 17 -5.199 -18.631 3.367 172 3HB ALA 17 3HB ALA 17 -4.752 -18.128 5.009 173 H THR 18 H THR 18 -5.177 -14.661 2.772 174 HA THR 18 HA THR 18 -5.653 -15.271 -0.092 175 HB THR 18 HB THR 18 -6.969 -13.556 1.983 176 HG1 THR 18 HG1 THR 18 -8.706 -14.678 1.182 177 1HG2 THR 18 1HG2 THR 18 -7.350 -13.224 -0.996 178 2HG2 THR 18 2HG2 THR 18 -8.363 -12.515 0.284 179 3HG2 THR 18 3HG2 THR 18 -6.689 -11.989 0.116 180 H LEU 19 H LEU 19 -4.203 -12.766 2.025 181 HA LEU 19 HA LEU 19 -3.174 -10.979 0.074 182 1HB LEU 19 1HB LEU 19 -2.101 -11.787 2.810 183 2HB LEU 19 2HB LEU 19 -1.516 -10.418 1.890 184 HG LEU 19 HG LEU 19 -4.401 -10.606 2.846 185 1HD1 LEU 19 1HD1 LEU 19 -1.905 -9.766 4.283 186 2HD1 LEU 19 2HD1 LEU 19 -3.411 -8.892 4.606 187 3HD1 LEU 19 3HD1 LEU 19 -3.346 -10.622 4.871 188 1HD2 LEU 19 1HD2 LEU 19 -4.583 -8.930 1.435 189 2HD2 LEU 19 2HD2 LEU 19 -3.848 -7.982 2.722 190 3HD2 LEU 19 3HD2 LEU 19 -2.846 -8.561 1.379 191 H ARG 20 H ARG 20 -1.517 -13.694 1.753 192 HA ARG 20 HA ARG 20 0.863 -13.639 0.103 193 1HB ARG 20 1HB ARG 20 1.478 -15.661 1.173 194 2HB ARG 20 2HB ARG 20 0.633 -14.714 2.401 195 1HG ARG 20 1HG ARG 20 -1.437 -16.085 1.983 196 2HG ARG 20 2HG ARG 20 -0.602 -17.013 0.773 197 1HD ARG 20 1HD ARG 20 0.572 -16.866 3.538 198 2HD ARG 20 2HD ARG 20 -0.807 -17.928 3.187 199 HE ARG 20 HE ARG 20 1.062 -18.309 1.122 200 1HH1 ARG 20 1HH1 ARG 20 0.950 -18.917 4.536 201 2HH1 ARG 20 2HH1 ARG 20 1.806 -20.439 4.441 202 1HH2 ARG 20 1HH2 ARG 20 2.159 -20.235 0.969 203 2HH2 ARG 20 2HH2 ARG 20 2.522 -21.153 2.401 204 H ALA 21 H ALA 21 -2.259 -15.100 -0.341 205 HA ALA 21 HA ALA 21 -1.502 -16.955 -2.455 206 1HB ALA 21 1HB ALA 21 -3.567 -17.606 -1.726 207 2HB ALA 21 2HB ALA 21 -4.005 -15.992 -1.179 208 3HB ALA 21 3HB ALA 21 -4.158 -16.377 -2.880 209 H TRP 22 H TRP 22 -3.178 -13.751 -2.418 210 HA TRP 22 HA TRP 22 -3.169 -13.227 -5.143 211 1HB TRP 22 1HB TRP 22 -2.707 -11.226 -2.949 212 2HB TRP 22 2HB TRP 22 -3.230 -10.946 -4.621 213 HD1 TRP 22 HD1 TRP 22 -5.489 -13.323 -4.521 214 HE1 TRP 22 HE1 TRP 22 -7.764 -12.562 -3.591 215 HE3 TRP 22 HE3 TRP 22 -3.932 -9.474 -1.585 216 HZ2 TRP 22 HZ2 TRP 22 -8.761 -10.453 -1.959 217 HZ3 TRP 22 HZ3 TRP 22 -5.568 -8.078 -0.345 218 HH2 TRP 22 HH2 TRP 22 -7.999 -8.577 -0.479 219 H GLU 23 H GLU 23 -0.445 -12.664 -2.894 220 HA GLU 23 HA GLU 23 1.390 -11.409 -4.524 221 1HB GLU 23 1HB GLU 23 1.516 -12.432 -2.119 222 2HB GLU 23 2HB GLU 23 2.186 -13.849 -2.913 223 1HG GLU 23 1HG GLU 23 3.290 -11.015 -3.180 224 2HG GLU 23 2HG GLU 23 3.817 -12.156 -1.949 225 H ARG 24 H ARG 24 0.610 -14.904 -4.686 226 HA ARG 24 HA ARG 24 2.050 -15.105 -7.308 227 1HB ARG 24 1HB ARG 24 1.134 -17.205 -5.300 228 2HB ARG 24 2HB ARG 24 1.533 -17.611 -6.971 229 1HG ARG 24 1HG ARG 24 3.753 -16.318 -6.564 230 2HG ARG 24 2HG ARG 24 3.397 -16.494 -4.846 231 1HD ARG 24 1HD ARG 24 3.440 -18.842 -6.803 232 2HD ARG 24 2HD ARG 24 4.906 -18.235 -6.022 233 HE ARG 24 HE ARG 24 3.090 -18.700 -3.954 234 1HH1 ARG 24 1HH1 ARG 24 4.745 -20.631 -6.345 235 2HH1 ARG 24 2HH1 ARG 24 4.901 -22.031 -5.319 236 1HH2 ARG 24 1HH2 ARG 24 3.315 -20.523 -2.627 237 2HH2 ARG 24 2HH2 ARG 24 4.097 -21.951 -3.242 238 H ARG 25 H ARG 25 -1.137 -14.839 -6.135 239 HA ARG 25 HA ARG 25 -2.395 -16.139 -8.456 240 1HB ARG 25 1HB ARG 25 -3.117 -15.987 -5.889 241 2HB ARG 25 2HB ARG 25 -3.955 -14.544 -6.447 242 1HG ARG 25 1HG ARG 25 -5.293 -15.870 -7.966 243 2HG ARG 25 2HG ARG 25 -4.368 -17.330 -7.579 244 1HD ARG 25 1HD ARG 25 -5.783 -15.730 -5.404 245 2HD ARG 25 2HD ARG 25 -6.639 -16.954 -6.357 246 HE ARG 25 HE ARG 25 -4.262 -18.120 -5.354 247 1HH1 ARG 25 1HH1 ARG 25 -7.283 -16.959 -3.991 248 2HH1 ARG 25 2HH1 ARG 25 -7.269 -18.124 -2.697 249 1HH2 ARG 25 1HH2 ARG 25 -4.324 -19.636 -3.701 250 2HH2 ARG 25 2HH2 ARG 25 -5.619 -19.596 -2.548 251 H TYR 26 H TYR 26 -1.775 -12.808 -7.523 252 HA TYR 26 HA TYR 26 -2.689 -11.828 -10.180 253 1HB TYR 26 1HB TYR 26 -3.672 -10.483 -7.628 254 2HB TYR 26 2HB TYR 26 -4.052 -10.036 -9.282 255 HD1 TYR 26 HD1 TYR 26 -5.526 -11.570 -10.683 256 HD2 TYR 26 HD2 TYR 26 -4.843 -12.147 -6.476 257 HE1 TYR 26 HE1 TYR 26 -7.415 -13.204 -10.604 258 HE2 TYR 26 HE2 TYR 26 -6.643 -13.855 -6.418 259 HH TYR 26 HH TYR 26 -8.163 -15.068 -7.667 260 H GLY 27 H GLY 27 -1.271 -10.938 -7.030 261 1HA GLY 27 1HA GLY 27 0.786 -9.809 -6.776 262 2HA GLY 27 2HA GLY 27 0.528 -8.929 -8.280 263 H PHE 28 H PHE 28 -2.417 -8.850 -6.610 264 HA PHE 28 HA PHE 28 -1.837 -6.197 -5.427 265 1HB PHE 28 1HB PHE 28 -3.708 -6.074 -6.810 266 2HB PHE 28 2HB PHE 28 -4.354 -7.600 -6.247 267 HD1 PHE 28 HD1 PHE 28 -5.373 -7.780 -3.908 268 HD2 PHE 28 HD2 PHE 28 -4.357 -3.994 -5.726 269 HE1 PHE 28 HE1 PHE 28 -7.027 -6.647 -2.475 270 HE2 PHE 28 HE2 PHE 28 -5.971 -2.860 -4.224 271 HZ PHE 28 HZ PHE 28 -7.339 -4.180 -2.644 272 HA PRO 29 HA PRO 29 -2.111 -4.917 -3.734 273 1HB PRO 29 1HB PRO 29 -0.828 -4.316 -1.446 274 2HB PRO 29 2HB PRO 29 -2.597 -4.379 -1.616 275 1HG PRO 29 1HG PRO 29 -0.760 -6.488 -0.437 276 2HG PRO 29 2HG PRO 29 -2.307 -5.913 0.222 277 1HD PRO 29 1HD PRO 29 -2.003 -8.192 -1.322 278 2HD PRO 29 2HD PRO 29 -3.519 -7.247 -1.267 279 H ARG 30 H ARG 30 -0.142 -4.021 -4.345 280 HA ARG 30 HA ARG 30 1.995 -6.008 -4.815 281 1HB ARG 30 1HB ARG 30 2.877 -4.341 -6.433 282 2HB ARG 30 2HB ARG 30 1.281 -4.986 -6.809 283 1HG ARG 30 1HG ARG 30 0.201 -2.928 -5.972 284 2HG ARG 30 2HG ARG 30 1.793 -2.245 -5.573 285 1HD ARG 30 1HD ARG 30 2.461 -2.360 -7.918 286 2HD ARG 30 2HD ARG 30 0.908 -3.120 -8.344 287 HE ARG 30 HE ARG 30 0.367 -0.696 -6.974 288 1HH1 ARG 30 1HH1 ARG 30 1.736 -1.636 -10.028 289 2HH1 ARG 30 2HH1 ARG 30 1.277 -0.163 -10.843 290 1HH2 ARG 30 1HH2 ARG 30 -0.252 1.183 -8.011 291 2HH2 ARG 30 2HH2 ARG 30 0.125 1.413 -9.686 292 HA PRO 31 HA PRO 31 4.291 -3.845 -1.642 293 1HB PRO 31 1HB PRO 31 6.726 -5.121 -1.899 294 2HB PRO 31 2HB PRO 31 5.321 -5.770 -1.003 295 1HG PRO 31 1HG PRO 31 6.295 -6.525 -3.737 296 2HG PRO 31 2HG PRO 31 5.553 -7.556 -2.473 297 1HD PRO 31 1HD PRO 31 4.220 -6.489 -4.692 298 2HD PRO 31 2HD PRO 31 3.413 -7.039 -3.193 299 H LEU 32 H LEU 32 5.832 -2.200 -1.642 300 HA LEU 32 HA LEU 32 6.205 -0.917 -4.232 301 1HB LEU 32 1HB LEU 32 7.628 0.099 -1.793 302 2HB LEU 32 2HB LEU 32 6.907 0.976 -3.125 303 HG LEU 32 HG LEU 32 5.539 -0.233 -0.710 304 1HD1 LEU 32 1HD1 LEU 32 4.850 2.028 -0.253 305 2HD1 LEU 32 2HD1 LEU 32 6.604 1.971 -0.469 306 3HD1 LEU 32 3HD1 LEU 32 5.570 2.598 -1.776 307 1HD2 LEU 32 1HD2 LEU 32 4.202 0.778 -3.240 308 2HD2 LEU 32 2HD2 LEU 32 3.891 -0.731 -2.353 309 3HD2 LEU 32 3HD2 LEU 32 3.391 0.802 -1.661 310 H ARG 33 H ARG 33 8.171 -0.481 -5.303 311 HA ARG 33 HA ARG 33 10.138 -2.586 -5.204 312 1HB ARG 33 1HB ARG 33 11.137 -1.542 -7.130 313 2HB ARG 33 2HB ARG 33 9.396 -1.623 -7.292 314 1HG ARG 33 1HG ARG 33 9.400 0.559 -7.847 315 2HG ARG 33 2HG ARG 33 9.787 0.918 -6.173 316 1HD ARG 33 1HD ARG 33 11.477 2.038 -7.231 317 2HD ARG 33 2HD ARG 33 12.290 0.499 -6.921 318 HE ARG 33 HE ARG 33 11.088 0.274 -9.451 319 1HH1 ARG 33 1HH1 ARG 33 13.610 2.172 -7.978 320 2HH1 ARG 33 2HH1 ARG 33 14.431 2.512 -9.479 321 1HH2 ARG 33 1HH2 ARG 33 12.151 0.714 -11.397 322 2HH2 ARG 33 2HH2 ARG 33 13.598 1.675 -11.387 323 H SER 34 H SER 34 10.715 -2.340 -2.980 324 HA SER 34 HA SER 34 13.225 -0.764 -2.664 325 1HB SER 34 1HB SER 34 10.729 -0.535 -0.978 326 2HB SER 34 2HB SER 34 12.304 -0.096 -0.314 327 HG SER 34 HG SER 34 11.946 0.964 -2.784 328 H GLU 35 H GLU 35 13.890 -1.250 -0.165 329 HA GLU 35 HA GLU 35 14.715 -3.964 -0.122 330 1HB GLU 35 1HB GLU 35 15.401 -1.544 1.197 331 2HB GLU 35 2HB GLU 35 14.782 -2.578 2.476 332 1HG GLU 35 1HG GLU 35 16.355 -4.407 1.274 333 2HG GLU 35 2HG GLU 35 17.168 -2.960 0.666 334 H GLY 36 H GLY 36 14.513 -5.111 2.153 335 1HA GLY 36 1HA GLY 36 12.824 -5.995 3.745 336 2HA GLY 36 2HA GLY 36 11.581 -5.673 2.535 337 H ASN 37 H ASN 37 14.185 -7.754 3.486 338 HA ASN 37 HA ASN 37 13.891 -9.714 1.333 339 1HB ASN 37 1HB ASN 37 15.269 -9.711 4.062 340 2HB ASN 37 2HB ASN 37 15.182 -11.153 3.048 341 1HD2 ASN 37 1HD2 ASN 37 17.431 -8.927 3.863 342 2HD2 ASN 37 2HD2 ASN 37 18.181 -8.837 2.270 343 H ASN 38 H ASN 38 13.283 -10.153 4.812 344 HA ASN 38 HA ASN 38 11.325 -12.242 4.394 345 1HB ASN 38 1HB ASN 38 11.496 -10.890 7.075 346 2HB ASN 38 2HB ASN 38 11.505 -12.596 6.670 347 1HD2 ASN 38 1HD2 ASN 38 13.486 -9.687 7.140 348 2HD2 ASN 38 2HD2 ASN 38 15.001 -10.609 7.085 349 H TYR 39 H TYR 39 11.210 -8.882 5.345 350 HA TYR 39 HA TYR 39 8.258 -8.769 5.488 351 1HB TYR 39 1HB TYR 39 9.853 -6.286 5.873 352 2HB TYR 39 2HB TYR 39 8.513 -6.915 6.812 353 HD1 TYR 39 HD1 TYR 39 8.983 -8.752 8.542 354 HD2 TYR 39 HD2 TYR 39 12.126 -6.611 6.508 355 HE1 TYR 39 HE1 TYR 39 10.661 -9.622 10.190 356 HE2 TYR 39 HE2 TYR 39 13.785 -7.472 8.139 357 HH TYR 39 HH TYR 39 14.123 -8.837 9.992 358 H ARG 40 H ARG 40 7.397 -6.726 4.402 359 HA ARG 40 HA ARG 40 8.785 -6.013 1.877 360 1HB ARG 40 1HB ARG 40 6.029 -7.201 2.256 361 2HB ARG 40 2HB ARG 40 6.311 -6.067 0.929 362 1HG ARG 40 1HG ARG 40 7.723 -8.730 1.317 363 2HG ARG 40 2HG ARG 40 6.435 -8.347 0.160 364 1HD ARG 40 1HD ARG 40 8.053 -6.446 -0.649 365 2HD ARG 40 2HD ARG 40 9.302 -7.378 0.200 366 HE ARG 40 HE ARG 40 7.733 -9.039 -1.583 367 1HH1 ARG 40 1HH1 ARG 40 10.417 -6.801 -1.538 368 2HH1 ARG 40 2HH1 ARG 40 11.047 -7.322 -3.070 369 1HH2 ARG 40 1HH2 ARG 40 8.574 -9.740 -3.540 370 2HH2 ARG 40 2HH2 ARG 40 10.024 -9.009 -4.159 371 H VAL 41 H VAL 41 7.225 -4.143 0.856 372 HA VAL 41 HA VAL 41 6.512 -2.264 3.050 373 HB VAL 41 HB VAL 41 7.400 -0.436 1.534 374 1HG1 VAL 41 1HG1 VAL 41 9.704 -0.636 2.448 375 2HG1 VAL 41 2HG1 VAL 41 8.446 -0.953 3.660 376 3HG1 VAL 41 3HG1 VAL 41 9.350 -2.303 2.939 377 1HG2 VAL 41 1HG2 VAL 41 8.957 -0.831 -0.090 378 2HG2 VAL 41 2HG2 VAL 41 9.348 -2.482 0.454 379 3HG2 VAL 41 3HG2 VAL 41 7.842 -2.147 -0.418 380 H TYR 42 H TYR 42 4.727 -1.125 2.724 381 HA TYR 42 HA TYR 42 3.248 -1.266 0.139 382 1HB TYR 42 1HB TYR 42 2.454 -2.271 2.902 383 2HB TYR 42 2HB TYR 42 1.315 -1.898 1.647 384 HD1 TYR 42 HD1 TYR 42 4.055 -4.208 2.510 385 HD2 TYR 42 HD2 TYR 42 0.881 -3.307 -0.230 386 HE1 TYR 42 HE1 TYR 42 4.224 -6.491 1.498 387 HE2 TYR 42 HE2 TYR 42 1.119 -5.562 -1.239 388 HH TYR 42 HH TYR 42 3.368 -8.008 -0.022 389 H SER 43 H SER 43 0.957 0.015 0.671 390 HA SER 43 HA SER 43 1.674 2.650 1.844 391 1HB SER 43 1HB SER 43 2.364 2.650 -0.574 392 2HB SER 43 2HB SER 43 0.675 2.312 -1.006 393 HG SER 43 HG SER 43 0.961 4.504 -1.075 394 H ARG 44 H ARG 44 -0.188 4.094 2.054 395 HA ARG 44 HA ARG 44 -2.272 2.591 3.296 396 1HB ARG 44 1HB ARG 44 -1.370 5.137 3.583 397 2HB ARG 44 2HB ARG 44 -2.841 5.459 2.684 398 1HG ARG 44 1HG ARG 44 -4.043 5.256 4.552 399 2HG ARG 44 2HG ARG 44 -3.592 3.567 4.712 400 1HD ARG 44 1HD ARG 44 -1.975 3.985 6.323 401 2HD ARG 44 2HD ARG 44 -1.543 5.550 5.648 402 HE ARG 44 HE ARG 44 -3.059 6.615 6.936 403 1HH1 ARG 44 1HH1 ARG 44 -3.868 3.234 7.151 404 2HH1 ARG 44 2HH1 ARG 44 -5.121 3.487 8.342 405 1HH2 ARG 44 1HH2 ARG 44 -4.694 6.932 8.397 406 2HH2 ARG 44 2HH2 ARG 44 -5.591 5.583 9.014 407 H GLU 45 H GLU 45 -2.138 4.037 0.168 408 HA GLU 45 HA GLU 45 -4.827 3.904 -0.763 409 1HB GLU 45 1HB GLU 45 -3.669 3.761 -3.033 410 2HB GLU 45 2HB GLU 45 -3.293 5.171 -2.045 411 1HG GLU 45 1HG GLU 45 -1.152 4.505 -1.548 412 2HG GLU 45 2HG GLU 45 -1.456 2.796 -1.757 413 H GLU 46 H GLU 46 -2.252 1.359 -0.825 414 HA GLU 46 HA GLU 46 -4.168 -0.490 -2.083 415 1HB GLU 46 1HB GLU 46 -2.517 -2.163 -2.018 416 2HB GLU 46 2HB GLU 46 -1.837 -0.694 -2.669 417 1HG GLU 46 1HG GLU 46 -0.203 -1.790 -1.320 418 2HG GLU 46 2HG GLU 46 -0.620 -0.259 -0.607 419 H VAL 47 H VAL 47 -2.845 0.118 1.203 420 HA VAL 47 HA VAL 47 -4.113 -2.001 2.476 421 HB VAL 47 HB VAL 47 -3.043 0.635 3.351 422 1HG1 VAL 47 1HG1 VAL 47 -3.749 0.405 5.697 423 2HG1 VAL 47 2HG1 VAL 47 -5.104 0.785 4.638 424 3HG1 VAL 47 3HG1 VAL 47 -4.861 -0.893 5.211 425 1HG2 VAL 47 1HG2 VAL 47 -1.402 -0.751 3.963 426 2HG2 VAL 47 2HG2 VAL 47 -2.436 -1.408 5.241 427 3HG2 VAL 47 3HG2 VAL 47 -2.394 -2.168 3.650 428 H GLU 48 H GLU 48 -5.573 1.244 1.968 429 HA GLU 48 HA GLU 48 -8.063 0.537 3.219 430 1HB GLU 48 1HB GLU 48 -8.959 2.548 2.155 431 2HB GLU 48 2HB GLU 48 -7.430 2.809 2.973 432 1HG GLU 48 1HG GLU 48 -6.721 3.862 1.150 433 2HG GLU 48 2HG GLU 48 -6.578 2.292 0.386 434 H ALA 49 H ALA 49 -7.075 0.341 -0.226 435 HA ALA 49 HA ALA 49 -9.491 -0.691 -1.242 436 1HB ALA 49 1HB ALA 49 -8.077 -1.572 -3.066 437 2HB ALA 49 2HB ALA 49 -7.640 0.105 -2.648 438 3HB ALA 49 3HB ALA 49 -6.616 -1.243 -2.122 439 H VAL 50 H VAL 50 -6.610 -2.480 -0.099 440 HA VAL 50 HA VAL 50 -7.614 -5.130 -0.298 441 HB VAL 50 HB VAL 50 -5.524 -3.864 1.507 442 1HG1 VAL 50 1HG1 VAL 50 -5.874 -5.853 2.670 443 2HG1 VAL 50 2HG1 VAL 50 -6.329 -6.759 1.213 444 3HG1 VAL 50 3HG1 VAL 50 -4.631 -6.307 1.498 445 1HG2 VAL 50 1HG2 VAL 50 -5.028 -5.664 -0.878 446 2HG2 VAL 50 2HG2 VAL 50 -5.229 -3.918 -1.085 447 3HG2 VAL 50 3HG2 VAL 50 -3.969 -4.506 -0.024 448 H ARG 51 H ARG 51 -7.726 -2.836 2.454 449 HA ARG 51 HA ARG 51 -9.122 -4.552 4.275 450 1HB ARG 51 1HB ARG 51 -9.033 -1.540 3.970 451 2HB ARG 51 2HB ARG 51 -10.003 -2.320 5.223 452 1HG ARG 51 1HG ARG 51 -8.031 -3.342 6.231 453 2HG ARG 51 2HG ARG 51 -7.003 -2.770 4.929 454 1HD ARG 51 1HD ARG 51 -6.570 -1.117 6.436 455 2HD ARG 51 2HD ARG 51 -7.979 -0.383 5.663 456 HE ARG 51 HE ARG 51 -8.529 -2.114 7.986 457 1HH1 ARG 51 1HH1 ARG 51 -7.924 1.187 7.035 458 2HH1 ARG 51 2HH1 ARG 51 -8.428 1.841 8.574 459 1HH2 ARG 51 1HH2 ARG 51 -9.073 -1.271 9.966 460 2HH2 ARG 51 2HH2 ARG 51 -9.058 0.447 10.211 461 H ARG 52 H ARG 52 -10.409 -2.399 1.768 462 HA ARG 52 HA ARG 52 -13.142 -3.267 2.136 463 1HB ARG 52 1HB ARG 52 -11.676 -1.603 0.195 464 2HB ARG 52 2HB ARG 52 -12.797 -2.696 -0.622 465 1HG ARG 52 1HG ARG 52 -14.011 -0.703 -0.113 466 2HG ARG 52 2HG ARG 52 -14.599 -1.981 0.956 467 1HD ARG 52 1HD ARG 52 -12.750 -0.998 2.624 468 2HD ARG 52 2HD ARG 52 -12.879 0.435 1.618 469 HE ARG 52 HE ARG 52 -14.702 -0.493 3.627 470 1HH1 ARG 52 1HH1 ARG 52 -14.825 1.139 0.547 471 2HH1 ARG 52 2HH1 ARG 52 -16.397 1.834 0.828 472 1HH2 ARG 52 1HH2 ARG 52 -16.702 0.429 3.998 473 2HH2 ARG 52 2HH2 ARG 52 -17.430 1.425 2.775 474 H VAL 53 H VAL 53 -10.799 -4.393 -0.323 475 HA VAL 53 HA VAL 53 -12.351 -6.436 -1.389 476 HB VAL 53 HB VAL 53 -9.328 -6.544 -1.044 477 1HG1 VAL 53 1HG1 VAL 53 -9.542 -7.976 -3.157 478 2HG1 VAL 53 2HG1 VAL 53 -10.094 -8.700 -1.647 479 3HG1 VAL 53 3HG1 VAL 53 -11.280 -8.077 -2.779 480 1HG2 VAL 53 1HG2 VAL 53 -9.675 -5.793 -3.624 481 2HG2 VAL 53 2HG2 VAL 53 -11.107 -5.017 -2.911 482 3HG2 VAL 53 3HG2 VAL 53 -9.500 -4.645 -2.317 483 H ALA 54 H ALA 54 -10.153 -6.832 1.424 484 HA ALA 54 HA ALA 54 -10.665 -9.545 2.007 485 1HB ALA 54 1HB ALA 54 -10.044 -7.191 3.839 486 2HB ALA 54 2HB ALA 54 -9.892 -8.910 4.280 487 3HB ALA 54 3HB ALA 54 -8.856 -8.222 3.008 488 H ARG 55 H ARG 55 -12.476 -6.631 3.152 489 HA ARG 55 HA ARG 55 -14.338 -8.261 4.711 490 1HB ARG 55 1HB ARG 55 -13.603 -5.561 4.682 491 2HB ARG 55 2HB ARG 55 -15.222 -5.509 4.005 492 1HG ARG 55 1HG ARG 55 -14.549 -7.056 6.551 493 2HG ARG 55 2HG ARG 55 -14.864 -5.331 6.595 494 1HD ARG 55 1HD ARG 55 -16.879 -7.201 5.314 495 2HD ARG 55 2HD ARG 55 -16.807 -7.001 7.070 496 HE ARG 55 HE ARG 55 -16.835 -4.414 6.095 497 1HH1 ARG 55 1HH1 ARG 55 -19.052 -7.096 5.778 498 2HH1 ARG 55 2HH1 ARG 55 -20.471 -6.088 5.810 499 1HH2 ARG 55 1HH2 ARG 55 -18.670 -3.136 6.163 500 2HH2 ARG 55 2HH2 ARG 55 -20.233 -3.871 6.005 501 H LEU 56 H LEU 56 -14.350 -6.853 1.489 502 HA LEU 56 HA LEU 56 -17.011 -7.575 0.740 503 1HB LEU 56 1HB LEU 56 -14.662 -6.394 -0.476 504 2HB LEU 56 2HB LEU 56 -15.088 -7.742 -1.439 505 HG LEU 56 HG LEU 56 -16.144 -6.016 -2.493 506 1HD1 LEU 56 1HD1 LEU 56 -17.805 -7.857 -1.895 507 2HD1 LEU 56 2HD1 LEU 56 -18.451 -6.759 -0.657 508 3HD1 LEU 56 3HD1 LEU 56 -18.495 -6.299 -2.360 509 1HD2 LEU 56 1HD2 LEU 56 -15.698 -4.275 -0.858 510 2HD2 LEU 56 2HD2 LEU 56 -17.364 -4.184 -1.446 511 3HD2 LEU 56 3HD2 LEU 56 -17.034 -4.859 0.167 512 H ILE 57 H ILE 57 -13.922 -9.373 0.505 513 HA ILE 57 HA ILE 57 -14.906 -11.795 -0.573 514 HB ILE 57 HB ILE 57 -12.568 -10.968 1.094 515 1HG1 ILE 57 1HG1 ILE 57 -12.587 -12.600 -1.441 516 2HG1 ILE 57 2HG1 ILE 57 -13.005 -10.890 -1.512 517 1HG2 ILE 57 1HG2 ILE 57 -11.603 -13.275 1.053 518 2HG2 ILE 57 2HG2 ILE 57 -12.934 -13.078 2.190 519 3HG2 ILE 57 3HG2 ILE 57 -13.207 -13.910 0.646 520 1HD1 ILE 57 1HD1 ILE 57 -10.756 -10.992 -1.966 521 2HD1 ILE 57 2HD1 ILE 57 -10.824 -10.405 -0.295 522 3HD1 ILE 57 3HD1 ILE 57 -10.391 -12.097 -0.615 523 H GLN 58 H GLN 58 -15.073 -10.681 2.809 524 HA GLN 58 HA GLN 58 -16.164 -13.166 3.771 525 1HB GLN 58 1HB GLN 58 -15.749 -10.445 4.830 526 2HB GLN 58 2HB GLN 58 -17.264 -11.141 5.385 527 1HG GLN 58 1HG GLN 58 -14.467 -12.281 5.737 528 2HG GLN 58 2HG GLN 58 -15.531 -11.622 6.979 529 1HE2 GLN 58 1HE2 GLN 58 -14.385 -14.569 5.796 530 2HE2 GLN 58 2HE2 GLN 58 -15.806 -15.499 6.292 531 H GLU 59 H GLU 59 -17.637 -10.835 1.629 532 HA GLU 59 HA GLU 59 -20.349 -11.745 2.295 533 1HB GLU 59 1HB GLU 59 -21.042 -9.970 1.244 534 2HB GLU 59 2HB GLU 59 -19.378 -9.432 1.126 535 1HG GLU 59 1HG GLU 59 -19.230 -10.487 -1.146 536 2HG GLU 59 2HG GLU 59 -20.925 -10.969 -1.008 537 H GLU 60 H GLU 60 -18.024 -12.296 -0.322 538 HA GLU 60 HA GLU 60 -19.415 -14.875 -1.008 539 1HB GLU 60 1HB GLU 60 -19.117 -12.456 -2.793 540 2HB GLU 60 2HB GLU 60 -18.815 -14.028 -3.505 541 1HG GLU 60 1HG GLU 60 -21.144 -14.647 -2.325 542 2HG GLU 60 2HG GLU 60 -21.403 -12.910 -2.516 543 H GLY 61 H GLY 61 -16.454 -12.983 -1.305 544 1HA GLY 61 1HA GLY 61 -14.281 -13.909 -1.297 545 2HA GLY 61 2HA GLY 61 -14.907 -15.463 -1.806 546 H LEU 62 H LEU 62 -16.422 -14.388 -4.083 547 HA LEU 62 HA LEU 62 -14.631 -14.340 -6.255 548 1HB LEU 62 1HB LEU 62 -16.808 -14.701 -6.870 549 2HB LEU 62 2HB LEU 62 -17.453 -13.534 -5.728 550 HG LEU 62 HG LEU 62 -16.793 -11.667 -7.221 551 1HD1 LEU 62 1HD1 LEU 62 -15.094 -12.347 -8.719 552 2HD1 LEU 62 2HD1 LEU 62 -15.833 -13.935 -9.000 553 3HD1 LEU 62 3HD1 LEU 62 -16.519 -12.470 -9.728 554 1HD2 LEU 62 1HD2 LEU 62 -18.552 -13.704 -8.606 555 2HD2 LEU 62 2HD2 LEU 62 -19.053 -12.755 -7.189 556 3HD2 LEU 62 3HD2 LEU 62 -18.635 -11.927 -8.691 557 H SER 63 H SER 63 -15.636 -11.655 -4.213 558 HA SER 63 HA SER 63 -14.482 -9.477 -5.566 559 1HB SER 63 1HB SER 63 -15.259 -10.048 -2.771 560 2HB SER 63 2HB SER 63 -13.977 -8.839 -2.970 561 HG SER 63 HG SER 63 -16.565 -8.806 -4.153 562 H VAL 64 H VAL 64 -12.662 -12.156 -4.254 563 HA VAL 64 HA VAL 64 -10.062 -10.956 -4.258 564 HB VAL 64 HB VAL 64 -11.089 -13.673 -5.162 565 1HG1 VAL 64 1HG1 VAL 64 -8.329 -12.496 -5.429 566 2HG1 VAL 64 2HG1 VAL 64 -8.555 -14.254 -5.148 567 3HG1 VAL 64 3HG1 VAL 64 -9.270 -13.467 -6.549 568 1HG2 VAL 64 1HG2 VAL 64 -11.037 -13.446 -2.763 569 2HG2 VAL 64 2HG2 VAL 64 -9.679 -14.452 -3.217 570 3HG2 VAL 64 3HG2 VAL 64 -9.413 -12.748 -2.784 571 H SER 65 H SER 65 -11.679 -12.443 -7.165 572 HA SER 65 HA SER 65 -9.793 -10.950 -8.900 573 1HB SER 65 1HB SER 65 -12.099 -12.838 -9.448 574 2HB SER 65 2HB SER 65 -11.426 -11.807 -10.721 575 HG SER 65 HG SER 65 -9.736 -13.497 -9.180 576 H GLU 66 H GLU 66 -13.243 -10.719 -7.920 577 HA GLU 66 HA GLU 66 -13.847 -8.666 -9.825 578 1HB GLU 66 1HB GLU 66 -15.234 -9.989 -7.586 579 2HB GLU 66 2HB GLU 66 -15.677 -8.296 -7.733 580 1HG GLU 66 1HG GLU 66 -15.692 -10.251 -10.068 581 2HG GLU 66 2HG GLU 66 -17.106 -9.898 -9.065 582 H ALA 67 H ALA 67 -13.069 -8.213 -6.244 583 HA ALA 67 HA ALA 67 -13.283 -5.363 -6.660 584 1HB ALA 67 1HB ALA 67 -12.792 -5.106 -4.405 585 2HB ALA 67 2HB ALA 67 -13.789 -6.565 -4.504 586 3HB ALA 67 3HB ALA 67 -12.027 -6.702 -4.296 587 H ILE 68 H ILE 68 -10.582 -7.715 -6.833 588 HA ILE 68 HA ILE 68 -8.520 -5.688 -7.041 589 HB ILE 68 HB ILE 68 -8.565 -8.541 -8.089 590 1HG1 ILE 68 1HG1 ILE 68 -7.083 -7.166 -5.818 591 2HG1 ILE 68 2HG1 ILE 68 -8.546 -8.075 -5.562 592 1HG2 ILE 68 1HG2 ILE 68 -6.330 -6.456 -8.119 593 2HG2 ILE 68 2HG2 ILE 68 -6.067 -8.193 -8.369 594 3HG2 ILE 68 3HG2 ILE 68 -7.037 -7.293 -9.521 595 1HD1 ILE 68 1HD1 ILE 68 -5.835 -9.197 -6.352 596 2HD1 ILE 68 2HD1 ILE 68 -6.820 -9.541 -4.929 597 3HD1 ILE 68 3HD1 ILE 68 -7.324 -10.130 -6.522 598 H ALA 69 H ALA 69 -10.404 -7.451 -9.640 599 HA ALA 69 HA ALA 69 -9.338 -5.881 -11.752 600 1HB ALA 69 1HB ALA 69 -12.035 -7.283 -11.565 601 2HB ALA 69 2HB ALA 69 -11.241 -6.716 -13.051 602 3HB ALA 69 3HB ALA 69 -10.502 -8.016 -12.097 603 H GLN 70 H GLN 70 -12.281 -5.322 -9.737 604 HA GLN 70 HA GLN 70 -13.104 -2.886 -10.933 605 1HB GLN 70 1HB GLN 70 -13.353 -3.906 -8.106 606 2HB GLN 70 2HB GLN 70 -14.029 -2.375 -8.626 607 1HG GLN 70 1HG GLN 70 -15.547 -3.421 -10.167 608 2HG GLN 70 2HG GLN 70 -14.801 -5.005 -9.960 609 1HE2 GLN 70 1HE2 GLN 70 -16.806 -6.144 -9.004 610 2HE2 GLN 70 2HE2 GLN 70 -17.275 -5.528 -7.423 611 H VAL 71 H VAL 71 -10.971 -3.195 -7.920 612 HA VAL 71 HA VAL 71 -10.463 -0.398 -7.983 613 HB VAL 71 HB VAL 71 -10.168 -2.045 -6.044 614 1HG1 VAL 71 1HG1 VAL 71 -8.407 -3.461 -7.194 615 2HG1 VAL 71 2HG1 VAL 71 -7.273 -2.109 -6.981 616 3HG1 VAL 71 3HG1 VAL 71 -8.012 -2.904 -5.571 617 1HG2 VAL 71 1HG2 VAL 71 -8.504 -0.515 -4.979 618 2HG2 VAL 71 2HG2 VAL 71 -8.245 0.253 -6.549 619 3HG2 VAL 71 3HG2 VAL 71 -9.844 0.311 -5.779 620 H LYS 72 H LYS 72 -8.844 -2.985 -9.737 621 HA LYS 72 HA LYS 72 -6.655 -1.311 -10.703 622 1HB LYS 72 1HB LYS 72 -7.802 -3.990 -11.598 623 2HB LYS 72 2HB LYS 72 -6.447 -3.243 -12.410 624 1HG LYS 72 1HG LYS 72 -6.069 -3.477 -9.454 625 2HG LYS 72 2HG LYS 72 -6.285 -5.011 -10.294 626 1HD LYS 72 1HD LYS 72 -3.937 -4.565 -10.195 627 2HD LYS 72 2HD LYS 72 -4.470 -4.442 -11.871 628 1HE LYS 72 1HE LYS 72 -4.761 -1.835 -10.728 629 2HE LYS 72 2HE LYS 72 -3.217 -2.438 -10.131 630 1HZ LYS 72 1HZ LYS 72 -2.520 -2.796 -12.395 631 2HZ LYS 72 2HZ LYS 72 -4.008 -2.410 -12.986 632 3HZ LYS 72 3HZ LYS 72 -3.088 -1.250 -12.284 633 H THR 73 H THR 73 -9.849 -2.161 -12.049 634 HA THR 73 HA THR 73 -9.340 -0.621 -14.500 635 HB THR 73 HB THR 73 -10.738 -2.768 -14.277 636 HG1 THR 73 HG1 THR 73 -10.610 -1.552 -16.145 637 1HG2 THR 73 1HG2 THR 73 -12.361 -1.522 -12.515 638 2HG2 THR 73 2HG2 THR 73 -13.179 -1.056 -14.004 639 3HG2 THR 73 3HG2 THR 73 -12.921 -2.773 -13.624 640 H GLU 74 H GLU 74 -10.671 0.035 -11.337 641 HA GLU 74 HA GLU 74 -12.105 2.370 -11.885 642 1HB GLU 74 1HB GLU 74 -10.761 1.186 -9.484 643 2HB GLU 74 2HB GLU 74 -10.985 2.918 -9.433 644 1HG GLU 74 1HG GLU 74 -13.432 2.532 -10.094 645 2HG GLU 74 2HG GLU 74 -13.163 0.824 -9.757 646 HA PRO 75 HA PRO 75 -9.104 5.361 -12.925 647 1HB PRO 75 1HB PRO 75 -10.241 7.714 -12.017 648 2HB PRO 75 2HB PRO 75 -10.805 6.793 -13.444 649 1HG PRO 75 1HG PRO 75 -11.983 6.873 -10.674 650 2HG PRO 75 2HG PRO 75 -12.813 6.746 -12.258 651 1HD PRO 75 1HD PRO 75 -12.260 4.625 -10.519 652 2HD PRO 75 2HD PRO 75 -12.618 4.457 -12.264 653 HA PRO 76 HA PRO 76 -6.546 5.979 -9.306 654 1HB PRO 76 1HB PRO 76 -4.677 7.760 -10.243 655 2HB PRO 76 2HB PRO 76 -4.741 6.044 -10.745 656 1HG PRO 76 1HG PRO 76 -5.781 8.472 -12.215 657 2HG PRO 76 2HG PRO 76 -4.902 7.054 -12.871 658 1HD PRO 76 1HD PRO 76 -7.654 7.372 -12.962 659 2HD PRO 76 2HD PRO 76 -6.845 5.775 -12.951 660 H ARG 77 H ARG 77 -6.115 7.464 -7.635 661 HA ARG 77 HA ARG 77 -6.934 10.251 -7.756 662 1HB ARG 77 1HB ARG 77 -8.899 8.264 -7.093 663 2HB ARG 77 2HB ARG 77 -8.483 9.054 -5.577 664 1HG ARG 77 1HG ARG 77 -9.030 11.235 -6.469 665 2HG ARG 77 2HG ARG 77 -9.173 10.597 -8.111 666 1HD ARG 77 1HD ARG 77 -11.305 10.101 -7.839 667 2HD ARG 77 2HD ARG 77 -10.951 9.056 -6.457 668 HE ARG 77 HE ARG 77 -10.861 11.545 -5.342 669 1HH1 ARG 77 1HH1 ARG 77 -13.314 9.905 -7.198 670 2HH1 ARG 77 2HH1 ARG 77 -14.642 10.770 -6.472 671 1HH2 ARG 77 1HH2 ARG 77 -12.577 12.643 -4.392 672 2HH2 ARG 77 2HH2 ARG 77 -14.207 12.297 -4.887 673 H GLU 78 H GLU 78 -5.305 11.209 -6.709 674 HA GLU 78 HA GLU 78 -4.285 10.125 -4.153 675 1HB GLU 78 1HB GLU 78 -2.883 10.035 -6.617 676 2HB GLU 78 2HB GLU 78 -2.234 11.449 -5.796 677 1HG GLU 78 1HG GLU 78 -1.707 10.079 -3.812 678 2HG GLU 78 2HG GLU 78 -2.433 8.661 -4.574 Start of MODEL 8 1 1H GLY -2 1H GLY -2 9.100 16.989 10.999 2 2H GLY -2 2H GLY -2 8.481 17.628 12.377 3 3H GLY -2 3H GLY -2 7.678 16.399 11.623 4 1HA GLY -2 1HA GLY -2 10.233 16.236 13.074 5 2HA GLY -2 2HA GLY -2 8.725 15.353 13.425 6 H SER -1 H SER -1 8.236 13.460 12.238 7 HA SER -1 HA SER -1 10.775 12.296 11.327 8 1HB SER -1 1HB SER -1 10.113 10.509 12.919 9 2HB SER -1 2HB SER -1 10.218 12.107 13.689 10 HG SER -1 HG SER -1 8.236 10.702 14.023 11 H HIS 0 H HIS 0 9.989 9.655 11.276 12 HA HIS 0 HA HIS 0 8.641 9.401 8.621 13 1HB HIS 0 1HB HIS 0 10.866 9.299 8.019 14 2HB HIS 0 2HB HIS 0 11.396 8.806 9.617 15 HD1 HIS 0 HD1 HIS 0 11.783 6.295 10.084 16 HD2 HIS 0 HD2 HIS 0 9.972 7.190 6.379 17 HE1 HIS 0 HE1 HIS 0 11.731 4.081 8.741 18 HE2 HIS 0 HE2 HIS 0 10.609 4.637 6.492 19 H MET 1 H MET 1 7.705 7.347 8.101 20 HA MET 1 HA MET 1 7.941 5.032 9.832 21 1HB MET 1 1HB MET 1 5.560 6.794 9.972 22 2HB MET 1 2HB MET 1 5.139 5.133 9.554 23 1HG MET 1 1HG MET 1 6.102 4.252 11.525 24 2HG MET 1 2HG MET 1 7.015 5.724 11.846 25 1HE MET 1 1HE MET 1 6.356 5.754 14.333 26 2HE MET 1 2HE MET 1 6.443 7.344 13.540 27 3HE MET 1 3HE MET 1 5.127 6.991 14.684 28 H THR 2 H THR 2 6.949 3.115 8.847 29 HA THR 2 HA THR 2 5.777 3.112 6.185 30 HB THR 2 HB THR 2 7.488 1.380 5.397 31 HG1 THR 2 HG1 THR 2 8.527 1.255 7.466 32 1HG2 THR 2 1HG2 THR 2 8.649 4.170 5.565 33 2HG2 THR 2 2HG2 THR 2 8.982 2.919 4.357 34 3HG2 THR 2 3HG2 THR 2 7.381 3.682 4.419 35 H LEU 3 H LEU 3 4.929 0.889 5.690 36 HA LEU 3 HA LEU 3 5.014 -1.091 7.914 37 1HB LEU 3 1HB LEU 3 2.541 -0.031 6.463 38 2HB LEU 3 2HB LEU 3 2.562 -1.534 7.346 39 HG LEU 3 HG LEU 3 1.518 -0.095 8.749 40 1HD1 LEU 3 1HD1 LEU 3 4.330 0.035 9.876 41 2HD1 LEU 3 2HD1 LEU 3 2.792 -0.066 10.747 42 3HD1 LEU 3 3HD1 LEU 3 3.380 -1.454 9.807 43 1HD2 LEU 3 1HD2 LEU 3 3.683 2.017 8.626 44 2HD2 LEU 3 2HD2 LEU 3 2.194 2.053 7.656 45 3HD2 LEU 3 3HD2 LEU 3 2.114 2.090 9.431 46 H ARG 4 H ARG 4 4.115 -3.253 7.191 47 HA ARG 4 HA ARG 4 4.865 -3.951 4.389 48 1HB ARG 4 1HB ARG 4 6.085 -5.908 5.254 49 2HB ARG 4 2HB ARG 4 6.806 -4.379 5.743 50 1HG ARG 4 1HG ARG 4 5.936 -4.576 7.991 51 2HG ARG 4 2HG ARG 4 4.930 -5.971 7.556 52 1HD ARG 4 1HD ARG 4 6.868 -7.358 7.195 53 2HD ARG 4 2HD ARG 4 7.962 -5.967 7.369 54 HE ARG 4 HE ARG 4 6.430 -6.140 9.736 55 1HH1 ARG 4 1HH1 ARG 4 8.999 -7.940 8.186 56 2HH1 ARG 4 2HH1 ARG 4 9.667 -8.506 9.690 57 1HH2 ARG 4 1HH2 ARG 4 7.311 -6.884 11.658 58 2HH2 ARG 4 2HH2 ARG 4 8.699 -7.921 11.618 59 H ILE 5 H ILE 5 4.229 -6.269 3.810 60 HA ILE 5 HA ILE 5 1.512 -6.683 3.905 61 HB ILE 5 HB ILE 5 3.209 -7.798 2.417 62 1HG1 ILE 5 1HG1 ILE 5 0.893 -8.247 2.099 63 2HG1 ILE 5 2HG1 ILE 5 1.876 -9.664 1.800 64 1HG2 ILE 5 1HG2 ILE 5 4.053 -9.977 2.846 65 2HG2 ILE 5 2HG2 ILE 5 4.674 -8.849 4.055 66 3HG2 ILE 5 3HG2 ILE 5 3.380 -10.002 4.474 67 1HD1 ILE 5 1HD1 ILE 5 1.169 -10.379 4.249 68 2HD1 ILE 5 2HD1 ILE 5 -0.138 -9.196 3.978 69 3HD1 ILE 5 3HD1 ILE 5 0.063 -10.572 2.893 70 H ARG 6 H ARG 6 3.844 -8.200 6.142 71 HA ARG 6 HA ARG 6 2.056 -9.742 7.674 72 1HB ARG 6 1HB ARG 6 4.511 -9.849 7.757 73 2HB ARG 6 2HB ARG 6 4.578 -8.282 8.575 74 1HG ARG 6 1HG ARG 6 3.524 -9.167 10.544 75 2HG ARG 6 2HG ARG 6 3.101 -10.683 9.735 76 1HD ARG 6 1HD ARG 6 6.018 -9.952 9.788 77 2HD ARG 6 2HD ARG 6 5.297 -10.347 11.340 78 HE ARG 6 HE ARG 6 5.805 -12.175 9.102 79 1HH1 ARG 6 1HH1 ARG 6 4.036 -11.825 12.102 80 2HH1 ARG 6 2HH1 ARG 6 3.856 -13.544 12.324 81 1HH2 ARG 6 1HH2 ARG 6 5.532 -14.389 9.417 82 2HH2 ARG 6 2HH2 ARG 6 4.676 -14.943 10.816 83 H THR 7 H THR 7 2.449 -6.239 7.731 84 HA THR 7 HA THR 7 0.852 -5.898 10.181 85 HB THR 7 HB THR 7 1.761 -3.725 8.250 86 HG1 THR 7 HG1 THR 7 3.230 -5.218 10.034 87 1HG2 THR 7 1HG2 THR 7 0.630 -2.481 9.761 88 2HG2 THR 7 2HG2 THR 7 0.519 -3.799 10.945 89 3HG2 THR 7 3HG2 THR 7 1.970 -2.803 10.878 90 H ILE 8 H ILE 8 0.315 -6.055 6.725 91 HA ILE 8 HA ILE 8 -2.398 -4.935 6.853 92 HB ILE 8 HB ILE 8 -1.157 -6.735 4.716 93 1HG1 ILE 8 1HG1 ILE 8 -1.239 -3.697 4.948 94 2HG1 ILE 8 2HG1 ILE 8 0.196 -4.709 4.926 95 1HG2 ILE 8 1HG2 ILE 8 -3.663 -6.640 4.773 96 2HG2 ILE 8 2HG2 ILE 8 -3.567 -4.873 4.608 97 3HG2 ILE 8 3HG2 ILE 8 -2.969 -5.945 3.319 98 1HD1 ILE 8 1HD1 ILE 8 -1.671 -4.260 2.570 99 2HD1 ILE 8 2HD1 ILE 8 -0.042 -3.637 2.798 100 3HD1 ILE 8 3HD1 ILE 8 -0.284 -5.384 2.589 101 H ALA 9 H ALA 9 -0.899 -8.184 6.637 102 HA ALA 9 HA ALA 9 -3.204 -9.756 6.969 103 1HB ALA 9 1HB ALA 9 -0.955 -10.577 6.253 104 2HB ALA 9 2HB ALA 9 -0.360 -10.343 7.910 105 3HB ALA 9 3HB ALA 9 -1.636 -11.526 7.578 106 H ARG 10 H ARG 10 -1.097 -8.424 9.575 107 HA ARG 10 HA ARG 10 -2.328 -9.618 11.762 108 1HB ARG 10 1HB ARG 10 -1.105 -8.241 13.094 109 2HB ARG 10 2HB ARG 10 -0.239 -8.056 11.602 110 1HG ARG 10 1HG ARG 10 -0.373 -5.859 12.185 111 2HG ARG 10 2HG ARG 10 -1.877 -5.952 11.277 112 1HD ARG 10 1HD ARG 10 -2.329 -6.707 14.059 113 2HD ARG 10 2HD ARG 10 -1.446 -5.181 13.999 114 HE ARG 10 HE ARG 10 -3.412 -4.661 12.235 115 1HH1 ARG 10 1HH1 ARG 10 -3.671 -6.109 15.403 116 2HH1 ARG 10 2HH1 ARG 10 -5.262 -5.474 15.719 117 1HH2 ARG 10 1HH2 ARG 10 -5.512 -3.898 12.639 118 2HH2 ARG 10 2HH2 ARG 10 -6.283 -4.260 14.152 119 H MET 11 H MET 11 -3.912 -7.315 9.750 120 HA MET 11 HA MET 11 -5.661 -6.072 11.601 121 1HB MET 11 1HB MET 11 -6.038 -6.860 8.691 122 2HB MET 11 2HB MET 11 -7.253 -5.962 9.609 123 1HG MET 11 1HG MET 11 -4.382 -5.044 9.197 124 2HG MET 11 2HG MET 11 -5.773 -4.482 8.269 125 1HE MET 11 1HE MET 11 -4.483 -1.595 10.806 126 2HE MET 11 2HE MET 11 -3.499 -2.858 10.022 127 3HE MET 11 3HE MET 11 -4.702 -1.946 9.078 128 H THR 12 H THR 12 -5.868 -9.298 10.206 129 HA THR 12 HA THR 12 -7.643 -10.057 12.439 130 HB THR 12 HB THR 12 -9.330 -11.239 11.064 131 HG1 THR 12 HG1 THR 12 -7.993 -9.866 9.015 132 1HG2 THR 12 1HG2 THR 12 -10.697 -9.405 10.415 133 2HG2 THR 12 2HG2 THR 12 -9.810 -8.904 11.857 134 3HG2 THR 12 3HG2 THR 12 -9.310 -8.311 10.257 135 H GLY 13 H GLY 13 -5.075 -10.963 10.337 136 1HA GLY 13 1HA GLY 13 -3.901 -12.897 10.175 137 2HA GLY 13 2HA GLY 13 -4.961 -13.671 11.359 138 H ILE 14 H ILE 14 -7.419 -13.649 10.203 139 HA ILE 14 HA ILE 14 -7.363 -15.833 8.521 140 HB ILE 14 HB ILE 14 -9.577 -15.906 8.559 141 1HG1 ILE 14 1HG1 ILE 14 -11.125 -13.794 8.574 142 2HG1 ILE 14 2HG1 ILE 14 -9.758 -12.972 7.844 143 1HG2 ILE 14 1HG2 ILE 14 -10.556 -14.942 10.507 144 2HG2 ILE 14 2HG2 ILE 14 -8.859 -15.269 10.873 145 3HG2 ILE 14 3HG2 ILE 14 -9.400 -13.605 10.523 146 1HD1 ILE 14 1HD1 ILE 14 -9.882 -14.560 5.910 147 2HD1 ILE 14 2HD1 ILE 14 -11.094 -15.523 6.776 148 3HD1 ILE 14 3HD1 ILE 14 -11.479 -13.884 6.228 149 H ARG 15 H ARG 15 -7.300 -12.496 7.497 150 HA ARG 15 HA ARG 15 -7.633 -13.025 4.659 151 1HB ARG 15 1HB ARG 15 -6.260 -10.604 5.898 152 2HB ARG 15 2HB ARG 15 -6.934 -10.742 4.276 153 1HG ARG 15 1HG ARG 15 -8.417 -10.587 6.892 154 2HG ARG 15 2HG ARG 15 -8.447 -9.441 5.571 155 1HD ARG 15 1HD ARG 15 -9.482 -11.348 4.170 156 2HD ARG 15 2HD ARG 15 -9.663 -12.240 5.676 157 HE ARG 15 HE ARG 15 -11.422 -10.318 4.634 158 1HH1 ARG 15 1HH1 ARG 15 -10.119 -10.724 7.979 159 2HH1 ARG 15 2HH1 ARG 15 -11.607 -10.077 8.586 160 1HH2 ARG 15 1HH2 ARG 15 -13.006 -9.440 5.524 161 2HH2 ARG 15 2HH2 ARG 15 -13.221 -9.333 7.274 162 H GLU 16 H GLU 16 -4.840 -13.564 6.693 163 HA GLU 16 HA GLU 16 -2.763 -12.957 4.853 164 1HB GLU 16 1HB GLU 16 -2.555 -13.566 7.294 165 2HB GLU 16 2HB GLU 16 -2.836 -15.245 6.849 166 1HG GLU 16 1HG GLU 16 -0.756 -14.219 5.114 167 2HG GLU 16 2HG GLU 16 -0.406 -13.647 6.738 168 H ALA 17 H ALA 17 -4.699 -15.908 5.239 169 HA ALA 17 HA ALA 17 -3.510 -17.525 3.255 170 1HB ALA 17 1HB ALA 17 -6.405 -17.402 4.215 171 2HB ALA 17 2HB ALA 17 -5.648 -18.774 3.379 172 3HB ALA 17 3HB ALA 17 -5.091 -18.304 4.997 173 H THR 18 H THR 18 -5.608 -14.791 2.888 174 HA THR 18 HA THR 18 -6.269 -15.345 0.038 175 HB THR 18 HB THR 18 -7.236 -13.370 2.131 176 HG1 THR 18 HG1 THR 18 -8.025 -15.564 1.839 177 1HG2 THR 18 1HG2 THR 18 -8.812 -12.500 0.435 178 2HG2 THR 18 2HG2 THR 18 -7.127 -12.045 0.133 179 3HG2 THR 18 3HG2 THR 18 -7.885 -13.354 -0.824 180 H LEU 19 H LEU 19 -4.580 -12.904 2.067 181 HA LEU 19 HA LEU 19 -3.556 -11.259 0.003 182 1HB LEU 19 1HB LEU 19 -2.436 -11.993 2.737 183 2HB LEU 19 2HB LEU 19 -1.809 -10.691 1.730 184 HG LEU 19 HG LEU 19 -4.730 -10.677 2.546 185 1HD1 LEU 19 1HD1 LEU 19 -3.945 -9.141 4.474 186 2HD1 LEU 19 2HD1 LEU 19 -3.690 -10.888 4.689 187 3HD1 LEU 19 3HD1 LEU 19 -2.330 -9.846 4.231 188 1HD2 LEU 19 1HD2 LEU 19 -2.757 -8.413 2.078 189 2HD2 LEU 19 2HD2 LEU 19 -3.835 -9.055 0.825 190 3HD2 LEU 19 3HD2 LEU 19 -4.521 -8.310 2.281 191 H ARG 20 H ARG 20 -1.940 -14.049 1.638 192 HA ARG 20 HA ARG 20 0.375 -14.027 -0.078 193 1HB ARG 20 1HB ARG 20 1.060 -15.926 1.096 194 2HB ARG 20 2HB ARG 20 0.067 -15.064 2.273 195 1HG ARG 20 1HG ARG 20 -1.884 -16.600 1.435 196 2HG ARG 20 2HG ARG 20 -0.610 -17.555 0.660 197 1HD ARG 20 1HD ARG 20 0.470 -17.754 2.964 198 2HD ARG 20 2HD ARG 20 -0.988 -16.955 3.596 199 HE ARG 20 HE ARG 20 -1.417 -19.313 1.902 200 1HH1 ARG 20 1HH1 ARG 20 -1.302 -18.198 5.283 201 2HH1 ARG 20 2HH1 ARG 20 -2.070 -19.649 5.852 202 1HH2 ARG 20 1HH2 ARG 20 -2.461 -21.074 2.704 203 2HH2 ARG 20 2HH2 ARG 20 -2.747 -21.216 4.417 204 H ALA 21 H ALA 21 -2.790 -15.534 -0.444 205 HA ALA 21 HA ALA 21 -2.096 -17.194 -2.710 206 1HB ALA 21 1HB ALA 21 -4.734 -16.090 -1.632 207 2HB ALA 21 2HB ALA 21 -4.625 -16.999 -3.149 208 3HB ALA 21 3HB ALA 21 -4.138 -17.759 -1.618 209 H TRP 22 H TRP 22 -3.662 -13.920 -2.430 210 HA TRP 22 HA TRP 22 -3.654 -13.285 -5.149 211 1HB TRP 22 1HB TRP 22 -3.122 -11.366 -2.893 212 2HB TRP 22 2HB TRP 22 -3.638 -10.997 -4.545 213 HD1 TRP 22 HD1 TRP 22 -6.019 -13.275 -4.485 214 HE1 TRP 22 HE1 TRP 22 -8.226 -12.502 -3.413 215 HE3 TRP 22 HE3 TRP 22 -4.237 -9.506 -1.584 216 HZ2 TRP 22 HZ2 TRP 22 -9.110 -10.445 -1.620 217 HZ3 TRP 22 HZ3 TRP 22 -5.776 -8.129 -0.185 218 HH2 TRP 22 HH2 TRP 22 -8.208 -8.605 -0.170 219 H GLU 23 H GLU 23 -0.896 -12.909 -2.874 220 HA GLU 23 HA GLU 23 0.933 -11.583 -4.464 221 1HB GLU 23 1HB GLU 23 1.170 -12.678 -2.106 222 2HB GLU 23 2HB GLU 23 1.744 -14.101 -2.995 223 1HG GLU 23 1HG GLU 23 3.441 -12.535 -4.127 224 2HG GLU 23 2HG GLU 23 2.949 -11.305 -2.955 225 H ARG 24 H ARG 24 0.003 -15.009 -4.849 226 HA ARG 24 HA ARG 24 1.665 -15.202 -7.325 227 1HB ARG 24 1HB ARG 24 1.718 -16.954 -5.379 228 2HB ARG 24 2HB ARG 24 0.161 -17.479 -6.012 229 1HG ARG 24 1HG ARG 24 1.804 -17.341 -8.304 230 2HG ARG 24 2HG ARG 24 2.925 -17.850 -7.067 231 1HD ARG 24 1HD ARG 24 0.351 -19.375 -7.059 232 2HD ARG 24 2HD ARG 24 1.219 -19.444 -8.580 233 HE ARG 24 HE ARG 24 2.865 -20.725 -7.667 234 1HH1 ARG 24 1HH1 ARG 24 1.066 -19.454 -4.969 235 2HH1 ARG 24 2HH1 ARG 24 1.788 -20.541 -3.811 236 1HH2 ARG 24 1HH2 ARG 24 3.786 -22.106 -6.181 237 2HH2 ARG 24 2HH2 ARG 24 3.319 -22.015 -4.511 238 H ARG 25 H ARG 25 -1.601 -14.849 -6.331 239 HA ARG 25 HA ARG 25 -2.800 -15.959 -8.773 240 1HB ARG 25 1HB ARG 25 -3.618 -15.864 -6.232 241 2HB ARG 25 2HB ARG 25 -4.383 -14.373 -6.768 242 1HG ARG 25 1HG ARG 25 -5.653 -15.699 -8.458 243 2HG ARG 25 2HG ARG 25 -4.779 -17.155 -7.920 244 1HD ARG 25 1HD ARG 25 -5.629 -16.479 -5.519 245 2HD ARG 25 2HD ARG 25 -6.821 -15.513 -6.374 246 HE ARG 25 HE ARG 25 -6.686 -18.401 -6.087 247 1HH1 ARG 25 1HH1 ARG 25 -8.206 -15.894 -8.118 248 2HH1 ARG 25 2HH1 ARG 25 -9.417 -17.027 -8.632 249 1HH2 ARG 25 1HH2 ARG 25 -8.292 -19.695 -6.785 250 2HH2 ARG 25 2HH2 ARG 25 -9.480 -19.086 -7.894 251 H TYR 26 H TYR 26 -2.084 -12.728 -7.617 252 HA TYR 26 HA TYR 26 -2.748 -11.569 -10.280 253 1HB TYR 26 1HB TYR 26 -3.839 -10.282 -7.753 254 2HB TYR 26 2HB TYR 26 -4.122 -9.783 -9.413 255 HD1 TYR 26 HD1 TYR 26 -5.631 -11.213 -10.902 256 HD2 TYR 26 HD2 TYR 26 -5.127 -11.913 -6.679 257 HE1 TYR 26 HE1 TYR 26 -7.605 -12.726 -10.921 258 HE2 TYR 26 HE2 TYR 26 -7.082 -13.438 -6.708 259 HH TYR 26 HH TYR 26 -9.135 -13.853 -9.523 260 H GLY 27 H GLY 27 -1.278 -11.106 -7.064 261 1HA GLY 27 1HA GLY 27 0.786 -10.033 -6.702 262 2HA GLY 27 2HA GLY 27 0.539 -9.002 -8.110 263 H PHE 28 H PHE 28 -2.405 -8.900 -6.572 264 HA PHE 28 HA PHE 28 -1.841 -6.320 -5.264 265 1HB PHE 28 1HB PHE 28 -3.714 -6.326 -6.706 266 2HB PHE 28 2HB PHE 28 -4.312 -7.841 -6.067 267 HD1 PHE 28 HD1 PHE 28 -5.514 -7.958 -3.896 268 HD2 PHE 28 HD2 PHE 28 -4.187 -4.183 -5.520 269 HE1 PHE 28 HE1 PHE 28 -7.154 -6.769 -2.481 270 HE2 PHE 28 HE2 PHE 28 -5.785 -3.006 -4.076 271 HZ PHE 28 HZ PHE 28 -7.319 -4.285 -2.588 272 HA PRO 29 HA PRO 29 -2.135 -5.024 -3.533 273 1HB PRO 29 1HB PRO 29 -0.975 -4.413 -1.166 274 2HB PRO 29 2HB PRO 29 -2.725 -4.522 -1.395 275 1HG PRO 29 1HG PRO 29 -0.866 -6.673 -0.272 276 2HG PRO 29 2HG PRO 29 -2.397 -6.106 0.429 277 1HD PRO 29 1HD PRO 29 -2.206 -8.335 -1.147 278 2HD PRO 29 2HD PRO 29 -3.656 -7.290 -1.173 279 H ARG 30 H ARG 30 -0.187 -4.151 -4.195 280 HA ARG 30 HA ARG 30 1.946 -6.165 -4.510 281 1HB ARG 30 1HB ARG 30 0.755 -4.332 -6.271 282 2HB ARG 30 2HB ARG 30 2.322 -3.611 -5.941 283 1HG ARG 30 1HG ARG 30 2.762 -6.442 -6.395 284 2HG ARG 30 2HG ARG 30 1.609 -5.883 -7.604 285 1HD ARG 30 1HD ARG 30 3.190 -4.023 -8.160 286 2HD ARG 30 2HD ARG 30 4.367 -4.735 -7.029 287 HE ARG 30 HE ARG 30 3.788 -6.872 -8.562 288 1HH1 ARG 30 1HH1 ARG 30 4.594 -3.664 -9.581 289 2HH1 ARG 30 2HH1 ARG 30 5.033 -4.142 -11.213 290 1HH2 ARG 30 1HH2 ARG 30 4.414 -7.495 -10.617 291 2HH2 ARG 30 2HH2 ARG 30 5.025 -6.325 -11.745 292 HA PRO 31 HA PRO 31 4.283 -3.871 -1.411 293 1HB PRO 31 1HB PRO 31 6.707 -5.197 -1.699 294 2HB PRO 31 2HB PRO 31 5.351 -5.735 -0.681 295 1HG PRO 31 1HG PRO 31 6.181 -6.744 -3.369 296 2HG PRO 31 2HG PRO 31 5.433 -7.635 -2.006 297 1HD PRO 31 1HD PRO 31 4.097 -6.722 -4.287 298 2HD PRO 31 2HD PRO 31 3.301 -7.112 -2.740 299 H LEU 32 H LEU 32 5.722 -2.185 -1.538 300 HA LEU 32 HA LEU 32 6.288 -1.172 -4.239 301 1HB LEU 32 1HB LEU 32 7.359 0.101 -1.729 302 2HB LEU 32 2HB LEU 32 6.907 0.842 -3.253 303 HG LEU 32 HG LEU 32 5.087 -0.105 -1.009 304 1HD1 LEU 32 1HD1 LEU 32 6.194 2.121 -0.834 305 2HD1 LEU 32 2HD1 LEU 32 5.385 2.606 -2.344 306 3HD1 LEU 32 3HD1 LEU 32 4.428 2.216 -0.899 307 1HD2 LEU 32 1HD2 LEU 32 4.214 0.845 -3.772 308 2HD2 LEU 32 2HD2 LEU 32 3.850 -0.718 -3.010 309 3HD2 LEU 32 3HD2 LEU 32 3.149 0.752 -2.350 310 H ARG 33 H ARG 33 8.480 -0.668 -4.975 311 HA ARG 33 HA ARG 33 10.390 -2.795 -4.368 312 1HB ARG 33 1HB ARG 33 10.406 -0.396 -6.231 313 2HB ARG 33 2HB ARG 33 11.909 -1.262 -5.887 314 1HG ARG 33 1HG ARG 33 10.868 -3.404 -6.568 315 2HG ARG 33 2HG ARG 33 9.380 -2.539 -6.998 316 1HD ARG 33 1HD ARG 33 10.654 -1.210 -8.676 317 2HD ARG 33 2HD ARG 33 12.143 -2.019 -8.188 318 HE ARG 33 HE ARG 33 11.587 -3.869 -9.424 319 1HH1 ARG 33 1HH1 ARG 33 8.698 -1.947 -9.170 320 2HH1 ARG 33 2HH1 ARG 33 7.815 -2.869 -10.358 321 1HH2 ARG 33 1HH2 ARG 33 10.447 -5.072 -10.921 322 2HH2 ARG 33 2HH2 ARG 33 8.816 -4.635 -11.323 323 H SER 34 H SER 34 12.670 -2.380 -3.834 324 HA SER 34 HA SER 34 13.498 -0.099 -2.323 325 1HB SER 34 1HB SER 34 12.644 -2.611 -0.819 326 2HB SER 34 2HB SER 34 13.785 -1.426 -0.167 327 HG SER 34 HG SER 34 11.373 -0.452 -1.223 328 H GLU 35 H GLU 35 15.614 -0.661 -1.227 329 HA GLU 35 HA GLU 35 17.404 -1.746 -3.215 330 1HB GLU 35 1HB GLU 35 19.152 -1.273 -1.450 331 2HB GLU 35 2HB GLU 35 18.240 0.096 -2.052 332 1HG GLU 35 1HG GLU 35 17.488 -1.259 0.572 333 2HG GLU 35 2HG GLU 35 18.774 -0.066 0.478 334 H GLY 36 H GLY 36 16.738 -2.888 0.082 335 1HA GLY 36 1HA GLY 36 16.936 -5.684 -0.444 336 2HA GLY 36 2HA GLY 36 18.559 -5.120 -0.032 337 H ASN 37 H ASN 37 18.573 -3.619 2.032 338 HA ASN 37 HA ASN 37 17.665 -5.066 4.278 339 1HB ASN 37 1HB ASN 37 18.417 -2.112 4.078 340 2HB ASN 37 2HB ASN 37 18.350 -3.062 5.563 341 1HD2 ASN 37 1HD2 ASN 37 20.262 -4.145 6.194 342 2HD2 ASN 37 2HD2 ASN 37 21.621 -4.268 5.070 343 H ASN 38 H ASN 38 16.147 -2.262 2.642 344 HA ASN 38 HA ASN 38 13.984 -2.105 4.572 345 1HB ASN 38 1HB ASN 38 14.983 -0.306 2.772 346 2HB ASN 38 2HB ASN 38 13.618 -0.927 1.849 347 1HD2 ASN 38 1HD2 ASN 38 11.431 -0.704 2.772 348 2HD2 ASN 38 2HD2 ASN 38 11.256 0.520 4.061 349 H TYR 39 H TYR 39 12.644 -3.746 4.768 350 HA TYR 39 HA TYR 39 12.231 -5.821 2.948 351 1HB TYR 39 1HB TYR 39 10.174 -5.021 5.018 352 2HB TYR 39 2HB TYR 39 10.619 -6.640 4.495 353 HD1 TYR 39 HD1 TYR 39 13.464 -6.904 4.817 354 HD2 TYR 39 HD2 TYR 39 10.702 -4.636 7.245 355 HE1 TYR 39 HE1 TYR 39 15.054 -6.996 6.710 356 HE2 TYR 39 HE2 TYR 39 12.310 -4.750 9.152 357 HH TYR 39 HH TYR 39 15.511 -6.243 8.838 358 H ARG 40 H ARG 40 9.899 -6.525 2.370 359 HA ARG 40 HA ARG 40 8.807 -4.864 0.272 360 1HB ARG 40 1HB ARG 40 8.094 -7.525 1.534 361 2HB ARG 40 2HB ARG 40 6.995 -6.775 0.382 362 1HG ARG 40 1HG ARG 40 8.616 -6.761 -1.377 363 2HG ARG 40 2HG ARG 40 9.939 -7.080 -0.261 364 1HD ARG 40 1HD ARG 40 8.836 -9.361 0.207 365 2HD ARG 40 2HD ARG 40 7.770 -9.012 -1.156 366 HE ARG 40 HE ARG 40 9.477 -9.551 -2.592 367 1HH1 ARG 40 1HH1 ARG 40 10.984 -8.897 0.480 368 2HH1 ARG 40 2HH1 ARG 40 12.596 -9.283 -0.074 369 1HH2 ARG 40 1HH2 ARG 40 11.562 -10.070 -3.278 370 2HH2 ARG 40 2HH2 ARG 40 12.891 -9.956 -2.165 371 H VAL 41 H VAL 41 8.523 -2.991 1.406 372 HA VAL 41 HA VAL 41 6.364 -2.598 3.277 373 HB VAL 41 HB VAL 41 6.777 -0.137 2.817 374 1HG1 VAL 41 1HG1 VAL 41 9.166 -1.809 3.697 375 2HG1 VAL 41 2HG1 VAL 41 8.906 -0.087 4.025 376 3HG1 VAL 41 3HG1 VAL 41 7.810 -1.290 4.712 377 1HG2 VAL 41 1HG2 VAL 41 8.738 0.559 1.598 378 2HG2 VAL 41 2HG2 VAL 41 9.175 -1.109 1.202 379 3HG2 VAL 41 3HG2 VAL 41 7.711 -0.384 0.507 380 H TYR 42 H TYR 42 4.620 -1.056 2.962 381 HA TYR 42 HA TYR 42 3.303 -1.240 0.275 382 1HB TYR 42 1HB TYR 42 2.316 -2.140 3.004 383 2HB TYR 42 2HB TYR 42 1.203 -1.745 1.707 384 HD1 TYR 42 HD1 TYR 42 0.674 -3.270 0.008 385 HD2 TYR 42 HD2 TYR 42 4.134 -3.978 2.465 386 HE1 TYR 42 HE1 TYR 42 0.910 -5.544 -0.910 387 HE2 TYR 42 HE2 TYR 42 4.393 -6.231 1.468 388 HH TYR 42 HH TYR 42 2.046 -7.476 -0.944 389 H SER 43 H SER 43 1.336 0.064 0.084 390 HA SER 43 HA SER 43 1.710 2.760 1.333 391 1HB SER 43 1HB SER 43 0.460 3.631 -0.568 392 2HB SER 43 2HB SER 43 1.841 2.668 -1.138 393 HG SER 43 HG SER 43 0.104 1.840 -2.152 394 H ARG 44 H ARG 44 -0.164 3.968 1.978 395 HA ARG 44 HA ARG 44 -2.205 2.429 3.357 396 1HB ARG 44 1HB ARG 44 -1.661 5.391 3.028 397 2HB ARG 44 2HB ARG 44 -3.283 4.871 3.450 398 1HG ARG 44 1HG ARG 44 -2.560 5.056 5.562 399 2HG ARG 44 2HG ARG 44 -2.043 3.403 5.297 400 1HD ARG 44 1HD ARG 44 -0.228 4.430 6.332 401 2HD ARG 44 2HD ARG 44 0.254 4.408 4.624 402 HE ARG 44 HE ARG 44 -0.991 6.841 4.887 403 1HH1 ARG 44 1HH1 ARG 44 1.620 5.432 6.743 404 2HH1 ARG 44 2HH1 ARG 44 2.231 6.982 7.263 405 1HH2 ARG 44 1HH2 ARG 44 -0.179 8.802 5.576 406 2HH2 ARG 44 2HH2 ARG 44 1.226 8.840 6.595 407 H GLU 45 H GLU 45 -2.140 3.969 0.184 408 HA GLU 45 HA GLU 45 -4.950 3.695 -0.361 409 1HB GLU 45 1HB GLU 45 -4.277 3.866 -2.737 410 2HB GLU 45 2HB GLU 45 -3.656 5.165 -1.715 411 1HG GLU 45 1HG GLU 45 -1.445 4.099 -1.638 412 2HG GLU 45 2HG GLU 45 -2.026 2.752 -2.627 413 H GLU 46 H GLU 46 -2.203 1.384 -0.827 414 HA GLU 46 HA GLU 46 -3.862 -0.706 -1.908 415 1HB GLU 46 1HB GLU 46 -1.211 -0.673 -0.433 416 2HB GLU 46 2HB GLU 46 -2.007 -2.192 -0.783 417 1HG GLU 46 1HG GLU 46 -1.393 -0.163 -2.968 418 2HG GLU 46 2HG GLU 46 -0.231 -1.370 -2.426 419 H VAL 47 H VAL 47 -2.922 0.060 1.504 420 HA VAL 47 HA VAL 47 -4.552 -2.000 2.630 421 HB VAL 47 HB VAL 47 -3.573 0.607 3.809 422 1HG1 VAL 47 1HG1 VAL 47 -5.643 0.161 5.026 423 2HG1 VAL 47 2HG1 VAL 47 -5.225 -1.562 5.186 424 3HG1 VAL 47 3HG1 VAL 47 -4.277 -0.317 6.037 425 1HG2 VAL 47 1HG2 VAL 47 -2.155 -0.975 5.112 426 2HG2 VAL 47 2HG2 VAL 47 -2.949 -2.341 4.304 427 3HG2 VAL 47 3HG2 VAL 47 -1.939 -1.219 3.371 428 H GLU 48 H GLU 48 -5.573 1.359 1.768 429 HA GLU 48 HA GLU 48 -8.244 1.133 2.696 430 1HB GLU 48 1HB GLU 48 -7.122 3.208 1.797 431 2HB GLU 48 2HB GLU 48 -7.305 2.557 0.170 432 1HG GLU 48 1HG GLU 48 -9.089 4.096 0.536 433 2HG GLU 48 2HG GLU 48 -9.807 2.492 0.507 434 H ALA 49 H ALA 49 -7.029 0.402 -0.610 435 HA ALA 49 HA ALA 49 -9.416 -0.724 -1.648 436 1HB ALA 49 1HB ALA 49 -6.496 -1.340 -2.291 437 2HB ALA 49 2HB ALA 49 -7.892 -1.810 -3.287 438 3HB ALA 49 3HB ALA 49 -7.503 -0.092 -3.042 439 H VAL 50 H VAL 50 -6.617 -2.421 -0.179 440 HA VAL 50 HA VAL 50 -7.628 -5.060 -0.255 441 HB VAL 50 HB VAL 50 -5.681 -3.706 1.633 442 1HG1 VAL 50 1HG1 VAL 50 -6.397 -6.659 1.440 443 2HG1 VAL 50 2HG1 VAL 50 -4.865 -6.053 2.089 444 3HG1 VAL 50 3HG1 VAL 50 -6.381 -5.627 2.887 445 1HG2 VAL 50 1HG2 VAL 50 -5.140 -5.730 -0.569 446 2HG2 VAL 50 2HG2 VAL 50 -5.132 -3.995 -0.881 447 3HG2 VAL 50 3HG2 VAL 50 -4.019 -4.650 0.316 448 H ARG 51 H ARG 51 -7.906 -2.654 2.420 449 HA ARG 51 HA ARG 51 -9.320 -4.368 4.204 450 1HB ARG 51 1HB ARG 51 -8.224 -2.397 4.973 451 2HB ARG 51 2HB ARG 51 -9.150 -1.353 3.897 452 1HG ARG 51 1HG ARG 51 -10.782 -2.962 5.827 453 2HG ARG 51 2HG ARG 51 -9.712 -1.749 6.544 454 1HD ARG 51 1HD ARG 51 -10.626 0.022 5.219 455 2HD ARG 51 2HD ARG 51 -11.592 -1.096 4.239 456 HE ARG 51 HE ARG 51 -12.564 -1.656 6.669 457 1HH1 ARG 51 1HH1 ARG 51 -12.027 1.501 5.177 458 2HH1 ARG 51 2HH1 ARG 51 -13.308 2.242 6.096 459 1HH2 ARG 51 1HH2 ARG 51 -14.192 -0.644 7.791 460 2HH2 ARG 51 2HH2 ARG 51 -14.534 1.041 7.522 461 H ARG 52 H ARG 52 -10.574 -2.162 1.668 462 HA ARG 52 HA ARG 52 -13.365 -2.932 2.061 463 1HB ARG 52 1HB ARG 52 -11.853 -1.686 -0.264 464 2HB ARG 52 2HB ARG 52 -13.509 -2.267 -0.438 465 1HG ARG 52 1HG ARG 52 -13.782 -0.787 1.835 466 2HG ARG 52 2HG ARG 52 -12.491 0.127 1.065 467 1HD ARG 52 1HD ARG 52 -14.927 -0.636 -0.599 468 2HD ARG 52 2HD ARG 52 -15.148 0.527 0.692 469 HE ARG 52 HE ARG 52 -14.315 2.136 -0.668 470 1HH1 ARG 52 1HH1 ARG 52 -12.649 -0.744 -1.785 471 2HH1 ARG 52 2HH1 ARG 52 -12.104 0.100 -3.228 472 1HH2 ARG 52 1HH2 ARG 52 -13.620 3.040 -2.423 473 2HH2 ARG 52 2HH2 ARG 52 -12.670 2.192 -3.607 474 H VAL 53 H VAL 53 -10.990 -4.109 -0.364 475 HA VAL 53 HA VAL 53 -12.565 -6.147 -1.503 476 HB VAL 53 HB VAL 53 -9.553 -6.053 -1.091 477 1HG1 VAL 53 1HG1 VAL 53 -9.446 -7.715 -2.957 478 2HG1 VAL 53 2HG1 VAL 53 -10.109 -8.343 -1.457 479 3HG1 VAL 53 3HG1 VAL 53 -11.198 -7.960 -2.791 480 1HG2 VAL 53 1HG2 VAL 53 -11.408 -4.829 -3.055 481 2HG2 VAL 53 2HG2 VAL 53 -9.740 -4.423 -2.666 482 3HG2 VAL 53 3HG2 VAL 53 -10.064 -5.712 -3.804 483 H ALA 54 H ALA 54 -10.320 -6.572 1.272 484 HA ALA 54 HA ALA 54 -10.944 -9.281 1.789 485 1HB ALA 54 1HB ALA 54 -9.717 -8.854 3.861 486 2HB ALA 54 2HB ALA 54 -8.907 -8.085 2.501 487 3HB ALA 54 3HB ALA 54 -9.869 -7.107 3.639 488 H ARG 55 H ARG 55 -12.723 -6.374 2.779 489 HA ARG 55 HA ARG 55 -14.501 -7.894 4.602 490 1HB ARG 55 1HB ARG 55 -14.160 -5.051 3.760 491 2HB ARG 55 2HB ARG 55 -15.826 -5.554 3.941 492 1HG ARG 55 1HG ARG 55 -14.064 -6.461 6.176 493 2HG ARG 55 2HG ARG 55 -14.146 -4.714 6.003 494 1HD ARG 55 1HD ARG 55 -16.625 -6.481 6.096 495 2HD ARG 55 2HD ARG 55 -15.890 -5.751 7.536 496 HE ARG 55 HE ARG 55 -16.228 -3.658 5.705 497 1HH1 ARG 55 1HH1 ARG 55 -18.460 -5.823 7.297 498 2HH1 ARG 55 2HH1 ARG 55 -19.746 -4.647 7.317 499 1HH2 ARG 55 1HH2 ARG 55 -17.871 -2.188 5.747 500 2HH2 ARG 55 2HH2 ARG 55 -19.391 -2.616 6.470 501 H LEU 56 H LEU 56 -14.627 -6.628 1.273 502 HA LEU 56 HA LEU 56 -17.153 -7.688 0.562 503 1HB LEU 56 1HB LEU 56 -14.786 -6.553 -0.756 504 2HB LEU 56 2HB LEU 56 -15.378 -7.904 -1.652 505 HG LEU 56 HG LEU 56 -16.318 -6.013 -2.608 506 1HD1 LEU 56 1HD1 LEU 56 -18.664 -6.355 -2.530 507 2HD1 LEU 56 2HD1 LEU 56 -17.938 -7.937 -2.195 508 3HD1 LEU 56 3HD1 LEU 56 -18.620 -6.967 -0.875 509 1HD2 LEU 56 1HD2 LEU 56 -17.265 -5.115 0.134 510 2HD2 LEU 56 2HD2 LEU 56 -15.929 -4.412 -0.814 511 3HD2 LEU 56 3HD2 LEU 56 -17.597 -4.304 -1.411 512 H ILE 57 H ILE 57 -13.956 -9.322 0.453 513 HA ILE 57 HA ILE 57 -14.811 -11.840 -0.503 514 HB ILE 57 HB ILE 57 -12.525 -11.003 1.271 515 1HG1 ILE 57 1HG1 ILE 57 -11.304 -12.383 -0.552 516 2HG1 ILE 57 2HG1 ILE 57 -12.851 -12.439 -1.404 517 1HG2 ILE 57 1HG2 ILE 57 -11.677 -13.330 1.427 518 2HG2 ILE 57 2HG2 ILE 57 -13.132 -13.100 2.381 519 3HG2 ILE 57 3HG2 ILE 57 -13.227 -13.933 0.811 520 1HD1 ILE 57 1HD1 ILE 57 -11.338 -9.954 -0.579 521 2HD1 ILE 57 2HD1 ILE 57 -11.312 -10.659 -2.193 522 3HD1 ILE 57 3HD1 ILE 57 -12.827 -9.985 -1.578 523 H GLN 58 H GLN 58 -15.182 -10.558 2.803 524 HA GLN 58 HA GLN 58 -16.094 -13.073 3.906 525 1HB GLN 58 1HB GLN 58 -15.733 -10.287 4.852 526 2HB GLN 58 2HB GLN 58 -17.163 -11.052 5.526 527 1HG GLN 58 1HG GLN 58 -14.342 -12.210 5.610 528 2HG GLN 58 2HG GLN 58 -15.148 -11.315 6.911 529 1HE2 GLN 58 1HE2 GLN 58 -14.722 -14.518 5.538 530 2HE2 GLN 58 2HE2 GLN 58 -15.976 -15.210 6.576 531 H GLU 59 H GLU 59 -17.680 -10.910 1.730 532 HA GLU 59 HA GLU 59 -20.367 -11.777 2.616 533 1HB GLU 59 1HB GLU 59 -19.631 -10.094 0.198 534 2HB GLU 59 2HB GLU 59 -21.216 -10.292 0.961 535 1HG GLU 59 1HG GLU 59 -20.176 -9.287 3.082 536 2HG GLU 59 2HG GLU 59 -18.785 -8.850 2.083 537 H GLU 60 H GLU 60 -17.964 -12.794 0.306 538 HA GLU 60 HA GLU 60 -19.653 -14.966 -0.685 539 1HB GLU 60 1HB GLU 60 -19.958 -12.463 -2.020 540 2HB GLU 60 2HB GLU 60 -18.954 -13.417 -3.084 541 1HG GLU 60 1HG GLU 60 -21.593 -14.387 -1.877 542 2HG GLU 60 2HG GLU 60 -21.456 -13.553 -3.429 543 H GLY 61 H GLY 61 -16.634 -13.149 -1.091 544 1HA GLY 61 1HA GLY 61 -14.490 -14.099 -1.278 545 2HA GLY 61 2HA GLY 61 -15.189 -15.655 -1.699 546 H LEU 62 H LEU 62 -16.824 -14.591 -3.926 547 HA LEU 62 HA LEU 62 -15.259 -14.622 -6.229 548 1HB LEU 62 1HB LEU 62 -17.567 -14.786 -6.464 549 2HB LEU 62 2HB LEU 62 -17.887 -13.406 -5.431 550 HG LEU 62 HG LEU 62 -17.265 -11.835 -7.183 551 1HD1 LEU 62 1HD1 LEU 62 -15.649 -13.057 -8.558 552 2HD1 LEU 62 2HD1 LEU 62 -16.861 -14.299 -8.944 553 3HD1 LEU 62 3HD1 LEU 62 -17.048 -12.636 -9.542 554 1HD2 LEU 62 1HD2 LEU 62 -19.237 -12.229 -8.570 555 2HD2 LEU 62 2HD2 LEU 62 -19.252 -13.948 -8.127 556 3HD2 LEU 62 3HD2 LEU 62 -19.590 -12.702 -6.906 557 H SER 63 H SER 63 -15.894 -11.849 -4.166 558 HA SER 63 HA SER 63 -14.638 -9.794 -5.664 559 1HB SER 63 1HB SER 63 -15.179 -10.188 -2.729 560 2HB SER 63 2HB SER 63 -14.238 -8.802 -3.312 561 HG SER 63 HG SER 63 -16.787 -9.496 -4.363 562 H VAL 64 H VAL 64 -12.984 -12.522 -4.248 563 HA VAL 64 HA VAL 64 -10.346 -11.379 -4.077 564 HB VAL 64 HB VAL 64 -11.388 -14.125 -4.864 565 1HG1 VAL 64 1HG1 VAL 64 -8.876 -14.798 -4.763 566 2HG1 VAL 64 2HG1 VAL 64 -9.532 -14.113 -6.245 567 3HG1 VAL 64 3HG1 VAL 64 -8.580 -13.090 -5.174 568 1HG2 VAL 64 1HG2 VAL 64 -9.836 -12.993 -2.496 569 2HG2 VAL 64 2HG2 VAL 64 -11.418 -13.790 -2.517 570 3HG2 VAL 64 3HG2 VAL 64 -9.976 -14.739 -2.811 571 H SER 65 H SER 65 -12.112 -12.705 -6.927 572 HA SER 65 HA SER 65 -9.988 -11.553 -8.661 573 1HB SER 65 1HB SER 65 -11.528 -13.812 -8.945 574 2HB SER 65 2HB SER 65 -12.416 -12.669 -9.969 575 HG SER 65 HG SER 65 -10.531 -12.290 -11.102 576 H GLU 66 H GLU 66 -13.441 -11.062 -7.856 577 HA GLU 66 HA GLU 66 -13.847 -9.052 -9.847 578 1HB GLU 66 1HB GLU 66 -15.456 -10.344 -7.801 579 2HB GLU 66 2HB GLU 66 -15.690 -8.600 -7.726 580 1HG GLU 66 1HG GLU 66 -16.005 -8.625 -10.256 581 2HG GLU 66 2HG GLU 66 -15.978 -10.393 -10.176 582 H ALA 67 H ALA 67 -13.303 -8.490 -6.234 583 HA ALA 67 HA ALA 67 -13.525 -5.670 -6.748 584 1HB ALA 67 1HB ALA 67 -13.080 -5.355 -4.446 585 2HB ALA 67 2HB ALA 67 -14.169 -6.734 -4.621 586 3HB ALA 67 3HB ALA 67 -12.445 -7.007 -4.277 587 H ILE 68 H ILE 68 -10.831 -7.901 -6.844 588 HA ILE 68 HA ILE 68 -8.739 -5.894 -7.093 589 HB ILE 68 HB ILE 68 -8.868 -8.791 -8.008 590 1HG1 ILE 68 1HG1 ILE 68 -7.406 -7.308 -5.777 591 2HG1 ILE 68 2HG1 ILE 68 -8.788 -8.369 -5.555 592 1HG2 ILE 68 1HG2 ILE 68 -7.356 -7.546 -9.545 593 2HG2 ILE 68 2HG2 ILE 68 -6.503 -6.849 -8.146 594 3HG2 ILE 68 3HG2 ILE 68 -6.436 -8.591 -8.487 595 1HD1 ILE 68 1HD1 ILE 68 -7.364 -10.283 -6.450 596 2HD1 ILE 68 2HD1 ILE 68 -5.979 -9.200 -6.365 597 3HD1 ILE 68 3HD1 ILE 68 -6.874 -9.597 -4.893 598 H ALA 69 H ALA 69 -10.642 -7.753 -9.611 599 HA ALA 69 HA ALA 69 -9.607 -6.311 -11.811 600 1HB ALA 69 1HB ALA 69 -10.863 -8.405 -12.024 601 2HB ALA 69 2HB ALA 69 -12.347 -7.595 -11.470 602 3HB ALA 69 3HB ALA 69 -11.598 -7.122 -13.008 603 H GLN 70 H GLN 70 -12.535 -5.587 -9.859 604 HA GLN 70 HA GLN 70 -13.255 -3.120 -11.026 605 1HB GLN 70 1HB GLN 70 -13.607 -4.270 -8.270 606 2HB GLN 70 2HB GLN 70 -13.949 -2.576 -8.561 607 1HG GLN 70 1HG GLN 70 -16.014 -3.569 -8.819 608 2HG GLN 70 2HG GLN 70 -15.482 -3.254 -10.460 609 1HE2 GLN 70 1HE2 GLN 70 -16.714 -5.659 -8.283 610 2HE2 GLN 70 2HE2 GLN 70 -16.552 -6.979 -9.404 611 H VAL 71 H VAL 71 -11.150 -3.401 -8.013 612 HA VAL 71 HA VAL 71 -10.591 -0.642 -8.174 613 HB VAL 71 HB VAL 71 -10.298 -2.270 -6.188 614 1HG1 VAL 71 1HG1 VAL 71 -8.493 -3.678 -7.232 615 2HG1 VAL 71 2HG1 VAL 71 -7.402 -2.277 -7.147 616 3HG1 VAL 71 3HG1 VAL 71 -8.060 -2.988 -5.662 617 1HG2 VAL 71 1HG2 VAL 71 -10.025 0.158 -6.068 618 2HG2 VAL 71 2HG2 VAL 71 -8.812 -0.664 -5.079 619 3HG2 VAL 71 3HG2 VAL 71 -8.355 0.025 -6.645 620 H LYS 72 H LYS 72 -8.929 -3.240 -9.890 621 HA LYS 72 HA LYS 72 -6.828 -1.394 -10.843 622 1HB LYS 72 1HB LYS 72 -7.571 -4.183 -11.815 623 2HB LYS 72 2HB LYS 72 -6.222 -3.189 -12.383 624 1HG LYS 72 1HG LYS 72 -5.627 -3.151 -9.754 625 2HG LYS 72 2HG LYS 72 -6.518 -4.669 -9.793 626 1HD LYS 72 1HD LYS 72 -3.963 -3.935 -11.256 627 2HD LYS 72 2HD LYS 72 -4.225 -5.191 -10.057 628 1HE LYS 72 1HE LYS 72 -4.242 -6.562 -11.855 629 2HE LYS 72 2HE LYS 72 -5.950 -6.107 -11.910 630 1HZ LYS 72 1HZ LYS 72 -4.901 -5.865 -14.076 631 2HZ LYS 72 2HZ LYS 72 -5.327 -4.375 -13.521 632 3HZ LYS 72 3HZ LYS 72 -3.758 -4.850 -13.470 633 H THR 73 H THR 73 -10.049 -2.245 -12.045 634 HA THR 73 HA THR 73 -9.415 -0.859 -14.605 635 HB THR 73 HB THR 73 -10.761 -3.008 -14.571 636 HG1 THR 73 HG1 THR 73 -11.611 -0.589 -15.741 637 1HG2 THR 73 1HG2 THR 73 -13.136 -1.169 -13.970 638 2HG2 THR 73 2HG2 THR 73 -13.122 -2.920 -14.244 639 3HG2 THR 73 3HG2 THR 73 -12.435 -2.250 -12.761 640 H GLU 74 H GLU 74 -10.887 -0.156 -11.554 641 HA GLU 74 HA GLU 74 -12.144 2.341 -12.311 642 1HB GLU 74 1HB GLU 74 -11.098 1.148 -9.706 643 2HB GLU 74 2HB GLU 74 -11.753 2.785 -9.780 644 1HG GLU 74 1HG GLU 74 -13.897 1.974 -10.598 645 2HG GLU 74 2HG GLU 74 -13.312 0.315 -10.657 646 HA PRO 75 HA PRO 75 -8.388 4.779 -12.561 647 1HB PRO 75 1HB PRO 75 -9.275 7.304 -11.987 648 2HB PRO 75 2HB PRO 75 -9.754 6.436 -13.482 649 1HG PRO 75 1HG PRO 75 -11.303 6.656 -10.881 650 2HG PRO 75 2HG PRO 75 -11.885 6.938 -12.558 651 1HD PRO 75 1HD PRO 75 -12.247 4.576 -11.234 652 2HD PRO 75 2HD PRO 75 -11.993 4.651 -13.008 653 HA PRO 76 HA PRO 76 -6.935 5.178 -8.312 654 1HB PRO 76 1HB PRO 76 -4.681 6.679 -8.561 655 2HB PRO 76 2HB PRO 76 -4.834 5.051 -9.273 656 1HG PRO 76 1HG PRO 76 -5.294 7.714 -10.661 657 2HG PRO 76 2HG PRO 76 -4.250 6.355 -11.196 658 1HD PRO 76 1HD PRO 76 -6.800 6.666 -12.118 659 2HD PRO 76 2HD PRO 76 -6.109 5.044 -11.808 660 H ARG 77 H ARG 77 -9.129 6.456 -8.339 661 HA ARG 77 HA ARG 77 -8.729 8.729 -6.532 662 1HB ARG 77 1HB ARG 77 -9.745 9.106 -9.302 663 2HB ARG 77 2HB ARG 77 -10.874 9.680 -8.071 664 1HG ARG 77 1HG ARG 77 -9.060 11.034 -7.033 665 2HG ARG 77 2HG ARG 77 -7.965 10.525 -8.342 666 1HD ARG 77 1HD ARG 77 -9.655 11.462 -9.987 667 2HD ARG 77 2HD ARG 77 -10.554 12.114 -8.601 668 HE ARG 77 HE ARG 77 -7.843 12.960 -8.419 669 1HH1 ARG 77 1HH1 ARG 77 -10.655 13.609 -10.363 670 2HH1 ARG 77 2HH1 ARG 77 -10.096 15.174 -10.900 671 1HH2 ARG 77 1HH2 ARG 77 -7.117 14.968 -9.117 672 2HH2 ARG 77 2HH2 ARG 77 -8.104 15.924 -10.181 673 H GLU 78 H GLU 78 -10.041 8.456 -4.856 674 HA GLU 78 HA GLU 78 -12.590 6.946 -5.079 675 1HB GLU 78 1HB GLU 78 -10.399 6.330 -3.491 676 2HB GLU 78 2HB GLU 78 -11.349 7.282 -2.377 677 1HG GLU 78 1HG GLU 78 -12.521 4.946 -3.958 678 2HG GLU 78 2HG GLU 78 -11.517 4.676 -2.558 Start of MODEL 9 1 1H GLY -2 1H GLY -2 2.321 18.004 5.830 2 2H GLY -2 2H GLY -2 0.924 17.133 5.767 3 3H GLY -2 3H GLY -2 0.996 18.495 6.667 4 1HA GLY -2 1HA GLY -2 2.538 17.475 8.203 5 2HA GLY -2 2HA GLY -2 1.039 16.557 8.055 6 H SER -1 H SER -1 0.969 14.737 6.569 7 HA SER -1 HA SER -1 3.378 13.144 7.361 8 1HB SER -1 1HB SER -1 0.477 12.451 7.872 9 2HB SER -1 2HB SER -1 1.868 11.410 8.181 10 HG SER -1 HG SER -1 1.963 12.557 9.964 11 H HIS 0 H HIS 0 3.824 10.867 6.730 12 HA HIS 0 HA HIS 0 2.596 9.705 4.364 13 1HB HIS 0 1HB HIS 0 4.809 9.717 3.127 14 2HB HIS 0 2HB HIS 0 4.057 11.301 3.270 15 HD1 HIS 0 HD1 HIS 0 7.026 9.332 4.596 16 HD2 HIS 0 HD2 HIS 0 5.282 13.166 4.762 17 HE1 HIS 0 HE1 HIS 0 8.771 10.868 5.731 18 HE2 HIS 0 HE2 HIS 0 7.688 13.218 5.832 19 H MET 1 H MET 1 2.993 7.369 4.439 20 HA MET 1 HA MET 1 5.209 6.363 5.983 21 1HB MET 1 1HB MET 1 3.255 7.047 7.647 22 2HB MET 1 2HB MET 1 2.444 5.615 7.012 23 1HG MET 1 1HG MET 1 4.372 4.234 7.749 24 2HG MET 1 2HG MET 1 5.231 5.693 8.257 25 1HE MET 1 1HE MET 1 4.762 3.051 10.104 26 2HE MET 1 2HE MET 1 5.739 4.485 10.495 27 3HE MET 1 3HE MET 1 4.506 3.912 11.638 28 H THR 2 H THR 2 5.137 3.946 6.018 29 HA THR 2 HA THR 2 3.411 2.546 4.056 30 HB THR 2 HB THR 2 5.320 1.366 3.110 31 HG1 THR 2 HG1 THR 2 6.614 1.970 5.132 32 1HG2 THR 2 1HG2 THR 2 4.622 3.432 1.945 33 2HG2 THR 2 2HG2 THR 2 5.822 4.359 2.880 34 3HG2 THR 2 3HG2 THR 2 6.360 3.099 1.762 35 H LEU 3 H LEU 3 3.135 0.314 4.582 36 HA LEU 3 HA LEU 3 4.369 -0.667 7.144 37 1HB LEU 3 1HB LEU 3 1.443 -0.675 6.299 38 2HB LEU 3 2HB LEU 3 2.059 -1.832 7.449 39 HG LEU 3 HG LEU 3 0.940 -0.116 8.607 40 1HD1 LEU 3 1HD1 LEU 3 2.577 0.510 10.260 41 2HD1 LEU 3 2HD1 LEU 3 2.946 -1.121 9.679 42 3HD1 LEU 3 3HD1 LEU 3 3.911 0.261 9.123 43 1HD2 LEU 3 1HD2 LEU 3 1.416 2.180 8.667 44 2HD2 LEU 3 2HD2 LEU 3 2.919 2.004 7.767 45 3HD2 LEU 3 3HD2 LEU 3 1.360 1.768 6.940 46 H ARG 4 H ARG 4 4.323 -3.039 7.407 47 HA ARG 4 HA ARG 4 5.025 -4.328 4.844 48 1HB ARG 4 1HB ARG 4 5.925 -6.143 6.260 49 2HB ARG 4 2HB ARG 4 6.669 -4.580 6.570 50 1HG ARG 4 1HG ARG 4 5.638 -4.329 8.677 51 2HG ARG 4 2HG ARG 4 4.327 -5.424 8.274 52 1HD ARG 4 1HD ARG 4 5.312 -7.026 9.378 53 2HD ARG 4 2HD ARG 4 6.562 -7.087 8.130 54 HE ARG 4 HE ARG 4 6.984 -5.101 10.254 55 1HH1 ARG 4 1HH1 ARG 4 7.649 -8.391 9.292 56 2HH1 ARG 4 2HH1 ARG 4 8.896 -8.616 10.496 57 1HH2 ARG 4 1HH2 ARG 4 8.603 -5.431 11.795 58 2HH2 ARG 4 2HH2 ARG 4 9.408 -6.964 11.880 59 H ILE 5 H ILE 5 4.318 -6.409 4.188 60 HA ILE 5 HA ILE 5 1.571 -6.814 4.186 61 HB ILE 5 HB ILE 5 3.484 -7.893 2.766 62 1HG1 ILE 5 1HG1 ILE 5 1.218 -7.896 2.049 63 2HG1 ILE 5 2HG1 ILE 5 1.956 -9.460 1.762 64 1HG2 ILE 5 1HG2 ILE 5 4.483 -9.341 4.424 65 2HG2 ILE 5 2HG2 ILE 5 2.972 -10.274 4.551 66 3HG2 ILE 5 3HG2 ILE 5 3.866 -10.232 3.029 67 1HD1 ILE 5 1HD1 ILE 5 0.782 -10.171 4.014 68 2HD1 ILE 5 2HD1 ILE 5 -0.204 -8.721 3.719 69 3HD1 ILE 5 3HD1 ILE 5 -0.144 -10.016 2.529 70 H ARG 6 H ARG 6 3.840 -8.318 6.449 71 HA ARG 6 HA ARG 6 2.015 -9.977 7.866 72 1HB ARG 6 1HB ARG 6 4.743 -9.022 8.236 73 2HB ARG 6 2HB ARG 6 3.873 -8.902 9.768 74 1HG ARG 6 1HG ARG 6 3.202 -11.274 9.584 75 2HG ARG 6 2HG ARG 6 4.070 -11.411 8.049 76 1HD ARG 6 1HD ARG 6 6.062 -11.691 9.060 77 2HD ARG 6 2HD ARG 6 5.817 -10.298 10.125 78 HE ARG 6 HE ARG 6 4.185 -12.302 11.158 79 1HH1 ARG 6 1HH1 ARG 6 7.637 -12.101 10.606 80 2HH1 ARG 6 2HH1 ARG 6 8.028 -13.031 12.026 81 1HH2 ARG 6 1HH2 ARG 6 4.732 -13.510 12.961 82 2HH2 ARG 6 2HH2 ARG 6 6.400 -13.814 13.322 83 H THR 7 H THR 7 2.532 -6.485 8.162 84 HA THR 7 HA THR 7 0.780 -6.175 10.473 85 HB THR 7 HB THR 7 1.994 -4.113 8.605 86 HG1 THR 7 HG1 THR 7 2.631 -4.609 11.280 87 1HG2 THR 7 1HG2 THR 7 1.494 -2.614 10.631 88 2HG2 THR 7 2HG2 THR 7 0.133 -3.035 9.618 89 3HG2 THR 7 3HG2 THR 7 0.371 -3.857 11.152 90 H ILE 8 H ILE 8 0.438 -5.952 6.924 91 HA ILE 8 HA ILE 8 -2.297 -5.015 6.930 92 HB ILE 8 HB ILE 8 -1.013 -6.859 4.871 93 1HG1 ILE 8 1HG1 ILE 8 -1.014 -3.825 5.029 94 2HG1 ILE 8 2HG1 ILE 8 0.381 -4.868 5.124 95 1HG2 ILE 8 1HG2 ILE 8 -2.737 -6.062 3.369 96 2HG2 ILE 8 2HG2 ILE 8 -3.529 -6.669 4.807 97 3HG2 ILE 8 3HG2 ILE 8 -3.345 -4.916 4.586 98 1HD1 ILE 8 1HD1 ILE 8 -1.325 -4.503 2.639 99 2HD1 ILE 8 2HD1 ILE 8 0.274 -3.854 2.953 100 3HD1 ILE 8 3HD1 ILE 8 0.066 -5.604 2.792 101 H ALA 9 H ALA 9 -0.946 -8.347 6.718 102 HA ALA 9 HA ALA 9 -3.417 -9.712 6.861 103 1HB ALA 9 1HB ALA 9 -2.062 -11.659 7.329 104 2HB ALA 9 2HB ALA 9 -1.215 -10.655 6.144 105 3HB ALA 9 3HB ALA 9 -0.695 -10.661 7.841 106 H ARG 10 H ARG 10 -1.243 -8.723 9.510 107 HA ARG 10 HA ARG 10 -2.505 -9.765 11.771 108 1HB ARG 10 1HB ARG 10 -0.829 -7.374 11.150 109 2HB ARG 10 2HB ARG 10 -1.643 -7.322 12.684 110 1HG ARG 10 1HG ARG 10 -0.026 -9.772 11.890 111 2HG ARG 10 2HG ARG 10 0.742 -8.333 12.555 112 1HD ARG 10 1HD ARG 10 -1.532 -8.935 14.227 113 2HD ARG 10 2HD ARG 10 -0.653 -10.445 13.955 114 HE ARG 10 HE ARG 10 1.260 -8.467 14.574 115 1HH1 ARG 10 1HH1 ARG 10 -1.371 -10.015 16.266 116 2HH1 ARG 10 2HH1 ARG 10 -0.648 -9.805 17.836 117 1HH2 ARG 10 1HH2 ARG 10 2.173 -8.196 16.601 118 2HH2 ARG 10 2HH2 ARG 10 1.339 -8.788 18.002 119 H MET 11 H MET 11 -3.978 -7.378 9.714 120 HA MET 11 HA MET 11 -5.834 -6.204 11.533 121 1HB MET 11 1HB MET 11 -6.076 -7.099 8.639 122 2HB MET 11 2HB MET 11 -7.362 -6.244 9.487 123 1HG MET 11 1HG MET 11 -4.649 -4.971 9.528 124 2HG MET 11 2HG MET 11 -5.516 -4.996 8.003 125 1HE MET 11 1HE MET 11 -5.746 -1.649 10.671 126 2HE MET 11 2HE MET 11 -5.433 -3.127 11.591 127 3HE MET 11 3HE MET 11 -4.462 -2.750 10.156 128 H THR 12 H THR 12 -5.709 -9.513 10.263 129 HA THR 12 HA THR 12 -7.691 -10.345 12.254 130 HB THR 12 HB THR 12 -9.085 -9.387 10.357 131 HG1 THR 12 HG1 THR 12 -9.937 -10.897 11.822 132 1HG2 THR 12 1HG2 THR 12 -8.344 -11.951 8.923 133 2HG2 THR 12 2HG2 THR 12 -9.441 -10.682 8.385 134 3HG2 THR 12 3HG2 THR 12 -7.688 -10.356 8.497 135 H GLY 13 H GLY 13 -5.144 -11.229 10.060 136 1HA GLY 13 1HA GLY 13 -3.919 -13.170 10.005 137 2HA GLY 13 2HA GLY 13 -5.050 -13.955 11.113 138 H ILE 14 H ILE 14 -7.435 -13.907 9.864 139 HA ILE 14 HA ILE 14 -7.266 -16.054 8.100 140 HB ILE 14 HB ILE 14 -9.483 -16.160 8.042 141 1HG1 ILE 14 1HG1 ILE 14 -11.093 -14.128 8.101 142 2HG1 ILE 14 2HG1 ILE 14 -9.741 -13.181 7.522 143 1HG2 ILE 14 1HG2 ILE 14 -9.397 -13.968 10.138 144 2HG2 ILE 14 2HG2 ILE 14 -10.531 -15.315 10.018 145 3HG2 ILE 14 3HG2 ILE 14 -8.840 -15.641 10.407 146 1HD1 ILE 14 1HD1 ILE 14 -10.768 -15.700 6.124 147 2HD1 ILE 14 2HD1 ILE 14 -11.392 -14.079 5.791 148 3HD1 ILE 14 3HD1 ILE 14 -9.707 -14.452 5.437 149 H ARG 15 H ARG 15 -7.234 -12.690 7.295 150 HA ARG 15 HA ARG 15 -7.476 -12.863 4.438 151 1HB ARG 15 1HB ARG 15 -6.157 -10.807 6.261 152 2HB ARG 15 2HB ARG 15 -6.288 -10.604 4.505 153 1HG ARG 15 1HG ARG 15 -8.686 -10.646 4.568 154 2HG ARG 15 2HG ARG 15 -8.714 -11.123 6.254 155 1HD ARG 15 1HD ARG 15 -7.443 -8.906 6.738 156 2HD ARG 15 2HD ARG 15 -7.939 -8.419 5.110 157 HE ARG 15 HE ARG 15 -10.259 -9.349 6.369 158 1HH1 ARG 15 1HH1 ARG 15 -8.069 -6.706 6.953 159 2HH1 ARG 15 2HH1 ARG 15 -9.185 -5.844 7.979 160 1HH2 ARG 15 1HH2 ARG 15 -11.691 -8.230 7.663 161 2HH2 ARG 15 2HH2 ARG 15 -11.231 -6.699 8.332 162 H GLU 16 H GLU 16 -4.696 -13.711 6.503 163 HA GLU 16 HA GLU 16 -2.655 -13.059 4.637 164 1HB GLU 16 1HB GLU 16 -2.460 -13.799 7.114 165 2HB GLU 16 2HB GLU 16 -2.497 -15.452 6.493 166 1HG GLU 16 1HG GLU 16 -0.567 -14.912 5.005 167 2HG GLU 16 2HG GLU 16 -0.546 -13.265 5.624 168 H ALA 17 H ALA 17 -4.645 -15.986 4.963 169 HA ALA 17 HA ALA 17 -3.395 -17.605 2.994 170 1HB ALA 17 1HB ALA 17 -6.304 -17.478 3.906 171 2HB ALA 17 2HB ALA 17 -5.512 -18.850 3.113 172 3HB ALA 17 3HB ALA 17 -5.008 -18.352 4.731 173 H THR 18 H THR 18 -5.707 -14.992 2.703 174 HA THR 18 HA THR 18 -6.315 -15.427 -0.162 175 HB THR 18 HB THR 18 -7.147 -13.418 1.949 176 HG1 THR 18 HG1 THR 18 -8.076 -15.558 1.702 177 1HG2 THR 18 1HG2 THR 18 -8.698 -12.458 0.286 178 2HG2 THR 18 2HG2 THR 18 -7.007 -12.086 -0.063 179 3HG2 THR 18 3HG2 THR 18 -7.852 -13.351 -0.999 180 H LEU 19 H LEU 19 -4.483 -13.075 1.845 181 HA LEU 19 HA LEU 19 -3.478 -11.457 -0.269 182 1HB LEU 19 1HB LEU 19 -2.298 -12.179 2.444 183 2HB LEU 19 2HB LEU 19 -1.695 -10.906 1.391 184 HG LEU 19 HG LEU 19 -4.587 -10.796 2.279 185 1HD1 LEU 19 1HD1 LEU 19 -2.151 -10.092 3.930 186 2HD1 LEU 19 2HD1 LEU 19 -3.694 -9.280 4.169 187 3HD1 LEU 19 3HD1 LEU 19 -3.565 -11.012 4.410 188 1HD2 LEU 19 1HD2 LEU 19 -3.609 -9.209 0.563 189 2HD2 LEU 19 2HD2 LEU 19 -4.326 -8.464 1.995 190 3HD2 LEU 19 3HD2 LEU 19 -2.558 -8.581 1.847 191 H ARG 20 H ARG 20 -1.950 -14.297 1.319 192 HA ARG 20 HA ARG 20 0.353 -14.358 -0.472 193 1HB ARG 20 1HB ARG 20 -0.843 -16.374 1.470 194 2HB ARG 20 2HB ARG 20 0.657 -16.666 0.590 195 1HG ARG 20 1HG ARG 20 0.367 -14.119 2.219 196 2HG ARG 20 2HG ARG 20 0.667 -15.643 3.025 197 1HD ARG 20 1HD ARG 20 2.467 -15.111 0.689 198 2HD ARG 20 2HD ARG 20 2.618 -13.946 1.997 199 HE ARG 20 HE ARG 20 3.538 -16.680 2.013 200 1HH1 ARG 20 1HH1 ARG 20 2.382 -14.193 4.099 201 2HH1 ARG 20 2HH1 ARG 20 2.363 -15.176 5.533 202 1HH2 ARG 20 1HH2 ARG 20 4.064 -17.800 3.973 203 2HH2 ARG 20 2HH2 ARG 20 3.724 -16.981 5.484 204 H ALA 21 H ALA 21 -2.870 -15.870 -0.645 205 HA ALA 21 HA ALA 21 -2.255 -17.422 -3.007 206 1HB ALA 21 1HB ALA 21 -4.845 -16.214 -1.982 207 2HB ALA 21 2HB ALA 21 -4.728 -17.218 -3.421 208 3HB ALA 21 3HB ALA 21 -4.296 -17.880 -1.845 209 H TRP 22 H TRP 22 -3.655 -14.074 -2.625 210 HA TRP 22 HA TRP 22 -3.719 -13.430 -5.331 211 1HB TRP 22 1HB TRP 22 -3.052 -11.530 -3.091 212 2HB TRP 22 2HB TRP 22 -3.563 -11.131 -4.731 213 HD1 TRP 22 HD1 TRP 22 -6.029 -13.342 -4.682 214 HE1 TRP 22 HE1 TRP 22 -8.202 -12.469 -3.629 215 HE3 TRP 22 HE3 TRP 22 -4.103 -9.646 -1.752 216 HZ2 TRP 22 HZ2 TRP 22 -8.998 -10.334 -1.912 217 HZ3 TRP 22 HZ3 TRP 22 -5.596 -8.197 -0.388 218 HH2 TRP 22 HH2 TRP 22 -8.057 -8.534 -0.442 219 H GLU 23 H GLU 23 -0.878 -13.101 -3.185 220 HA GLU 23 HA GLU 23 0.956 -11.820 -4.796 221 1HB GLU 23 1HB GLU 23 1.244 -12.840 -2.479 222 2HB GLU 23 2HB GLU 23 1.517 -14.384 -3.275 223 1HG GLU 23 1HG GLU 23 3.315 -12.551 -4.526 224 2HG GLU 23 2HG GLU 23 3.340 -12.150 -2.822 225 H ARG 24 H ARG 24 -0.159 -15.167 -5.233 226 HA ARG 24 HA ARG 24 1.422 -15.405 -7.776 227 1HB ARG 24 1HB ARG 24 0.095 -17.544 -6.066 228 2HB ARG 24 2HB ARG 24 1.007 -17.836 -7.553 229 1HG ARG 24 1HG ARG 24 3.064 -16.905 -6.485 230 2HG ARG 24 2HG ARG 24 2.150 -16.594 -5.006 231 1HD ARG 24 1HD ARG 24 3.202 -18.586 -4.515 232 2HD ARG 24 2HD ARG 24 1.577 -19.100 -4.993 233 HE ARG 24 HE ARG 24 3.562 -19.063 -7.156 234 1HH1 ARG 24 1HH1 ARG 24 2.187 -21.084 -4.671 235 2HH1 ARG 24 2HH1 ARG 24 2.812 -22.567 -5.343 236 1HH2 ARG 24 1HH2 ARG 24 4.402 -20.980 -7.989 237 2HH2 ARG 24 2HH2 ARG 24 4.060 -22.486 -7.197 238 H ARG 25 H ARG 25 -1.737 -14.871 -6.685 239 HA ARG 25 HA ARG 25 -3.089 -16.019 -9.055 240 1HB ARG 25 1HB ARG 25 -3.792 -15.957 -6.486 241 2HB ARG 25 2HB ARG 25 -4.542 -14.432 -6.946 242 1HG ARG 25 1HG ARG 25 -5.958 -15.631 -8.570 243 2HG ARG 25 2HG ARG 25 -5.058 -17.126 -8.242 244 1HD ARG 25 1HD ARG 25 -5.753 -16.521 -5.683 245 2HD ARG 25 2HD ARG 25 -7.053 -15.674 -6.499 246 HE ARG 25 HE ARG 25 -8.042 -17.695 -6.966 247 1HH1 ARG 25 1HH1 ARG 25 -4.692 -18.375 -6.240 248 2HH1 ARG 25 2HH1 ARG 25 -4.918 -20.100 -6.175 249 1HH2 ARG 25 1HH2 ARG 25 -8.313 -19.939 -6.866 250 2HH2 ARG 25 2HH2 ARG 25 -6.946 -20.955 -6.541 251 H TYR 26 H TYR 26 -2.347 -12.801 -7.839 252 HA TYR 26 HA TYR 26 -3.041 -11.610 -10.486 253 1HB TYR 26 1HB TYR 26 -4.080 -10.366 -7.916 254 2HB TYR 26 2HB TYR 26 -4.397 -9.850 -9.563 255 HD1 TYR 26 HD1 TYR 26 -5.941 -11.200 -11.031 256 HD2 TYR 26 HD2 TYR 26 -5.356 -12.079 -6.856 257 HE1 TYR 26 HE1 TYR 26 -8.007 -12.591 -11.038 258 HE2 TYR 26 HE2 TYR 26 -7.382 -13.524 -6.888 259 HH TYR 26 HH TYR 26 -9.611 -13.572 -9.616 260 H GLY 27 H GLY 27 -1.438 -11.269 -7.340 261 1HA GLY 27 1HA GLY 27 0.631 -10.209 -7.004 262 2HA GLY 27 2HA GLY 27 0.336 -9.125 -8.358 263 H PHE 28 H PHE 28 -2.570 -8.864 -6.915 264 HA PHE 28 HA PHE 28 -1.849 -6.409 -5.495 265 1HB PHE 28 1HB PHE 28 -3.770 -6.297 -6.860 266 2HB PHE 28 2HB PHE 28 -4.412 -7.796 -6.231 267 HD1 PHE 28 HD1 PHE 28 -5.563 -7.908 -4.035 268 HD2 PHE 28 HD2 PHE 28 -4.093 -4.151 -5.591 269 HE1 PHE 28 HE1 PHE 28 -7.147 -6.680 -2.589 270 HE2 PHE 28 HE2 PHE 28 -5.626 -2.944 -4.104 271 HZ PHE 28 HZ PHE 28 -7.238 -4.195 -2.677 272 HA PRO 29 HA PRO 29 -2.093 -5.102 -3.753 273 1HB PRO 29 1HB PRO 29 -0.803 -4.523 -1.449 274 2HB PRO 29 2HB PRO 29 -2.573 -4.613 -1.562 275 1HG PRO 29 1HG PRO 29 -0.635 -6.767 -0.610 276 2HG PRO 29 2HG PRO 29 -2.118 -6.224 0.215 277 1HD PRO 29 1HD PRO 29 -2.044 -8.437 -1.400 278 2HD PRO 29 2HD PRO 29 -3.493 -7.395 -1.315 279 H ARG 30 H ARG 30 -0.159 -4.233 -4.451 280 HA ARG 30 HA ARG 30 1.992 -6.219 -4.917 281 1HB ARG 30 1HB ARG 30 0.834 -4.057 -6.431 282 2HB ARG 30 2HB ARG 30 2.539 -3.678 -6.189 283 1HG ARG 30 1HG ARG 30 3.252 -5.730 -7.227 284 2HG ARG 30 2HG ARG 30 1.635 -6.419 -7.153 285 1HD ARG 30 1HD ARG 30 2.099 -5.783 -9.417 286 2HD ARG 30 2HD ARG 30 0.779 -4.807 -8.750 287 HE ARG 30 HE ARG 30 3.290 -3.472 -8.379 288 1HH1 ARG 30 1HH1 ARG 30 1.041 -4.191 -10.941 289 2HH1 ARG 30 2HH1 ARG 30 1.392 -2.734 -11.839 290 1HH2 ARG 30 1HH2 ARG 30 3.769 -1.635 -9.555 291 2HH2 ARG 30 2HH2 ARG 30 2.954 -1.315 -11.054 292 HA PRO 31 HA PRO 31 4.479 -4.199 -1.721 293 1HB PRO 31 1HB PRO 31 6.913 -5.355 -2.234 294 2HB PRO 31 2HB PRO 31 5.573 -6.223 -1.428 295 1HG PRO 31 1HG PRO 31 6.361 -6.309 -4.353 296 2HG PRO 31 2HG PRO 31 5.986 -7.685 -3.269 297 1HD PRO 31 1HD PRO 31 4.151 -6.628 -4.993 298 2HD PRO 31 2HD PRO 31 3.666 -7.266 -3.394 299 H LEU 32 H LEU 32 5.973 -2.500 -1.662 300 HA LEU 32 HA LEU 32 5.826 -0.800 -3.940 301 1HB LEU 32 1HB LEU 32 7.254 -0.571 -1.268 302 2HB LEU 32 2HB LEU 32 7.241 0.747 -2.441 303 HG LEU 32 HG LEU 32 4.696 -0.504 -1.330 304 1HD1 LEU 32 1HD1 LEU 32 4.575 1.542 0.091 305 2HD1 LEU 32 2HD1 LEU 32 5.943 0.510 0.512 306 3HD1 LEU 32 3HD1 LEU 32 6.208 1.985 -0.441 307 1HD2 LEU 32 1HD2 LEU 32 5.188 2.132 -2.772 308 2HD2 LEU 32 2HD2 LEU 32 4.379 0.708 -3.468 309 3HD2 LEU 32 3HD2 LEU 32 3.640 1.561 -2.122 310 H ARG 33 H ARG 33 8.957 -1.330 -2.333 311 HA ARG 33 HA ARG 33 10.294 -1.335 -4.996 312 1HB ARG 33 1HB ARG 33 11.231 -0.800 -2.166 313 2HB ARG 33 2HB ARG 33 12.406 -1.364 -3.355 314 1HG ARG 33 1HG ARG 33 11.924 0.494 -4.855 315 2HG ARG 33 2HG ARG 33 10.579 1.016 -3.845 316 1HD ARG 33 1HD ARG 33 12.272 2.532 -3.319 317 2HD ARG 33 2HD ARG 33 12.257 1.412 -1.969 318 HE ARG 33 HE ARG 33 14.409 0.751 -2.501 319 1HH1 ARG 33 1HH1 ARG 33 13.209 2.476 -5.301 320 2HH1 ARG 33 2HH1 ARG 33 14.796 2.738 -5.965 321 1HH2 ARG 33 1HH2 ARG 33 16.445 1.142 -3.369 322 2HH2 ARG 33 2HH2 ARG 33 16.586 1.983 -4.878 323 H SER 34 H SER 34 12.174 -2.852 -5.104 324 HA SER 34 HA SER 34 11.248 -5.605 -4.775 325 1HB SER 34 1HB SER 34 13.091 -6.255 -6.102 326 2HB SER 34 2HB SER 34 12.470 -4.767 -6.816 327 HG SER 34 HG SER 34 14.201 -3.660 -5.706 328 H GLU 35 H GLU 35 13.826 -6.841 -4.263 329 HA GLU 35 HA GLU 35 13.642 -6.966 -1.393 330 1HB GLU 35 1HB GLU 35 14.598 -8.653 -3.423 331 2HB GLU 35 2HB GLU 35 16.073 -8.134 -2.604 332 1HG GLU 35 1HG GLU 35 14.872 -8.721 -0.400 333 2HG GLU 35 2HG GLU 35 13.632 -9.493 -1.391 334 H GLY 36 H GLY 36 15.684 -6.921 -0.012 335 1HA GLY 36 1HA GLY 36 17.986 -5.778 0.034 336 2HA GLY 36 2HA GLY 36 17.081 -4.322 -0.402 337 H ASN 37 H ASN 37 18.144 -3.629 1.656 338 HA ASN 37 HA ASN 37 17.537 -4.591 4.213 339 1HB ASN 37 1HB ASN 37 17.875 -1.650 3.490 340 2HB ASN 37 2HB ASN 37 18.219 -2.416 5.041 341 1HD2 ASN 37 1HD2 ASN 37 19.990 -0.823 3.139 342 2HD2 ASN 37 2HD2 ASN 37 21.320 -1.955 2.876 343 H ASN 38 H ASN 38 15.583 -2.460 2.166 344 HA ASN 38 HA ASN 38 13.638 -1.890 4.276 345 1HB ASN 38 1HB ASN 38 14.345 -0.396 2.220 346 2HB ASN 38 2HB ASN 38 13.167 -1.355 1.326 347 1HD2 ASN 38 1HD2 ASN 38 10.958 -1.638 3.081 348 2HD2 ASN 38 2HD2 ASN 38 10.559 -0.002 3.623 349 H TYR 39 H TYR 39 12.647 -3.726 4.960 350 HA TYR 39 HA TYR 39 11.996 -5.998 3.515 351 1HB TYR 39 1HB TYR 39 10.114 -5.022 5.651 352 2HB TYR 39 2HB TYR 39 10.709 -6.651 5.366 353 HD1 TYR 39 HD1 TYR 39 13.595 -6.518 5.463 354 HD2 TYR 39 HD2 TYR 39 10.723 -4.222 7.737 355 HE1 TYR 39 HE1 TYR 39 15.309 -6.085 7.188 356 HE2 TYR 39 HE2 TYR 39 12.461 -3.803 9.478 357 HH TYR 39 HH TYR 39 15.805 -4.929 9.121 358 H ARG 40 H ARG 40 9.830 -6.858 2.986 359 HA ARG 40 HA ARG 40 8.547 -5.521 0.931 360 1HB ARG 40 1HB ARG 40 7.038 -7.366 0.826 361 2HB ARG 40 2HB ARG 40 8.661 -7.920 1.171 362 1HG ARG 40 1HG ARG 40 7.408 -7.654 3.730 363 2HG ARG 40 2HG ARG 40 6.176 -8.299 2.655 364 1HD ARG 40 1HD ARG 40 7.118 -10.246 3.410 365 2HD ARG 40 2HD ARG 40 8.068 -10.001 1.941 366 HE ARG 40 HE ARG 40 9.103 -8.891 4.499 367 1HH1 ARG 40 1HH1 ARG 40 9.405 -11.543 2.227 368 2HH1 ARG 40 2HH1 ARG 40 10.911 -12.091 2.902 369 1HH2 ARG 40 1HH2 ARG 40 11.060 -9.613 5.324 370 2HH2 ARG 40 2HH2 ARG 40 11.803 -11.012 4.627 371 H VAL 41 H VAL 41 8.077 -3.460 1.630 372 HA VAL 41 HA VAL 41 5.657 -3.073 3.269 373 HB VAL 41 HB VAL 41 6.266 -0.670 3.269 374 1HG1 VAL 41 1HG1 VAL 41 8.316 -2.581 4.416 375 2HG1 VAL 41 2HG1 VAL 41 8.077 -0.890 4.896 376 3HG1 VAL 41 3HG1 VAL 41 6.790 -2.074 5.158 377 1HG2 VAL 41 1HG2 VAL 41 8.931 -1.530 2.109 378 2HG2 VAL 41 2HG2 VAL 41 7.689 -0.701 1.185 379 3HG2 VAL 41 3HG2 VAL 41 8.413 0.100 2.582 380 H TYR 42 H TYR 42 4.191 -1.473 2.819 381 HA TYR 42 HA TYR 42 3.170 -1.266 0.035 382 1HB TYR 42 1HB TYR 42 1.893 -2.303 2.599 383 2HB TYR 42 2HB TYR 42 1.014 -2.000 1.112 384 HD1 TYR 42 HD1 TYR 42 3.691 -4.145 2.631 385 HD2 TYR 42 HD2 TYR 42 1.043 -3.510 -0.705 386 HE1 TYR 42 HE1 TYR 42 4.334 -6.353 1.684 387 HE2 TYR 42 HE2 TYR 42 1.536 -5.788 -1.505 388 HH TYR 42 HH TYR 42 2.663 -7.733 -1.153 389 H SER 43 H SER 43 1.634 0.405 -0.251 390 HA SER 43 HA SER 43 1.773 2.681 1.620 391 1HB SER 43 1HB SER 43 0.569 2.307 -1.148 392 2HB SER 43 2HB SER 43 0.425 3.802 -0.199 393 HG SER 43 HG SER 43 2.206 3.895 -1.581 394 H ARG 44 H ARG 44 -0.148 3.856 2.236 395 HA ARG 44 HA ARG 44 -2.183 2.269 3.441 396 1HB ARG 44 1HB ARG 44 -1.375 4.709 4.014 397 2HB ARG 44 2HB ARG 44 -2.549 5.206 2.800 398 1HG ARG 44 1HG ARG 44 -4.032 5.218 4.536 399 2HG ARG 44 2HG ARG 44 -4.101 3.486 4.291 400 1HD ARG 44 1HD ARG 44 -3.637 3.432 6.504 401 2HD ARG 44 2HD ARG 44 -1.960 3.542 5.948 402 HE ARG 44 HE ARG 44 -3.091 6.163 6.248 403 1HH1 ARG 44 1HH1 ARG 44 -1.909 3.582 8.278 404 2HH1 ARG 44 2HH1 ARG 44 -1.704 4.606 9.674 405 1HH2 ARG 44 1HH2 ARG 44 -2.872 7.453 8.070 406 2HH2 ARG 44 2HH2 ARG 44 -2.246 6.771 9.537 407 H GLU 45 H GLU 45 -2.164 3.904 0.293 408 HA GLU 45 HA GLU 45 -4.899 3.631 -0.409 409 1HB GLU 45 1HB GLU 45 -3.972 3.630 -2.782 410 2HB GLU 45 2HB GLU 45 -3.602 5.027 -1.773 411 1HG GLU 45 1HG GLU 45 -1.354 4.396 -1.446 412 2HG GLU 45 2HG GLU 45 -1.614 2.740 -1.967 413 H GLU 46 H GLU 46 -2.225 1.287 -0.995 414 HA GLU 46 HA GLU 46 -3.898 -0.734 -2.165 415 1HB GLU 46 1HB GLU 46 -1.207 -0.792 -0.760 416 2HB GLU 46 2HB GLU 46 -1.995 -2.284 -1.249 417 1HG GLU 46 1HG GLU 46 -1.451 -0.041 -3.230 418 2HG GLU 46 2HG GLU 46 -0.259 -1.271 -2.832 419 H VAL 47 H VAL 47 -2.872 -0.177 1.239 420 HA VAL 47 HA VAL 47 -4.367 -2.341 2.371 421 HB VAL 47 HB VAL 47 -3.448 0.279 3.558 422 1HG1 VAL 47 1HG1 VAL 47 -5.390 -0.332 4.892 423 2HG1 VAL 47 2HG1 VAL 47 -4.874 -2.029 4.951 424 3HG1 VAL 47 3HG1 VAL 47 -3.941 -0.775 5.798 425 1HG2 VAL 47 1HG2 VAL 47 -2.030 -2.022 2.899 426 2HG2 VAL 47 2HG2 VAL 47 -1.566 -0.857 4.141 427 3HG2 VAL 47 3HG2 VAL 47 -2.470 -2.314 4.580 428 H GLU 48 H GLU 48 -5.440 1.043 1.738 429 HA GLU 48 HA GLU 48 -8.033 0.882 2.823 430 1HB GLU 48 1HB GLU 48 -6.870 2.935 1.908 431 2HB GLU 48 2HB GLU 48 -7.189 2.346 0.282 432 1HG GLU 48 1HG GLU 48 -8.846 3.975 0.813 433 2HG GLU 48 2HG GLU 48 -9.647 2.410 0.764 434 H ALA 49 H ALA 49 -7.060 0.221 -0.575 435 HA ALA 49 HA ALA 49 -9.527 -0.907 -1.425 436 1HB ALA 49 1HB ALA 49 -8.186 -1.896 -3.240 437 2HB ALA 49 2HB ALA 49 -7.764 -0.192 -2.962 438 3HB ALA 49 3HB ALA 49 -6.686 -1.474 -2.377 439 H VAL 50 H VAL 50 -6.588 -2.656 -0.265 440 HA VAL 50 HA VAL 50 -7.549 -5.294 -0.375 441 HB VAL 50 HB VAL 50 -5.563 -3.920 1.450 442 1HG1 VAL 50 1HG1 VAL 50 -6.193 -5.821 2.781 443 2HG1 VAL 50 2HG1 VAL 50 -6.192 -6.886 1.361 444 3HG1 VAL 50 3HG1 VAL 50 -4.674 -6.201 1.984 445 1HG2 VAL 50 1HG2 VAL 50 -5.120 -5.964 -0.753 446 2HG2 VAL 50 2HG2 VAL 50 -5.069 -4.225 -1.033 447 3HG2 VAL 50 3HG2 VAL 50 -3.930 -4.944 0.098 448 H ARG 51 H ARG 51 -7.722 -3.067 2.409 449 HA ARG 51 HA ARG 51 -9.016 -4.866 4.213 450 1HB ARG 51 1HB ARG 51 -7.727 -2.865 4.817 451 2HB ARG 51 2HB ARG 51 -8.927 -1.815 4.076 452 1HG ARG 51 1HG ARG 51 -9.869 -3.688 6.249 453 2HG ARG 51 2HG ARG 51 -8.782 -2.371 6.707 454 1HD ARG 51 1HD ARG 51 -10.304 -0.760 5.514 455 2HD ARG 51 2HD ARG 51 -11.482 -2.077 5.341 456 HE ARG 51 HE ARG 51 -10.949 -2.140 8.008 457 1HH1 ARG 51 1HH1 ARG 51 -11.751 0.632 6.005 458 2HH1 ARG 51 2HH1 ARG 51 -12.462 1.512 7.321 459 1HH2 ARG 51 1HH2 ARG 51 -11.822 -0.953 9.687 460 2HH2 ARG 51 2HH2 ARG 51 -12.489 0.615 9.372 461 H ARG 52 H ARG 52 -10.320 -2.553 1.837 462 HA ARG 52 HA ARG 52 -13.103 -3.116 2.393 463 1HB ARG 52 1HB ARG 52 -11.870 -1.200 0.933 464 2HB ARG 52 2HB ARG 52 -12.233 -2.323 -0.381 465 1HG ARG 52 1HG ARG 52 -14.652 -2.338 0.448 466 2HG ARG 52 2HG ARG 52 -14.169 -1.092 1.619 467 1HD ARG 52 1HD ARG 52 -13.293 0.246 -0.392 468 2HD ARG 52 2HD ARG 52 -14.167 -0.915 -1.416 469 HE ARG 52 HE ARG 52 -15.963 0.027 0.554 470 1HH1 ARG 52 1HH1 ARG 52 -14.303 1.346 -2.220 471 2HH1 ARG 52 2HH1 ARG 52 -15.413 2.667 -2.424 472 1HH2 ARG 52 1HH2 ARG 52 -17.375 1.754 0.309 473 2HH2 ARG 52 2HH2 ARG 52 -17.129 2.883 -0.989 474 H VAL 53 H VAL 53 -10.960 -4.307 -0.210 475 HA VAL 53 HA VAL 53 -12.617 -6.194 -1.440 476 HB VAL 53 HB VAL 53 -9.604 -6.317 -0.992 477 1HG1 VAL 53 1HG1 VAL 53 -10.268 -8.523 -1.499 478 2HG1 VAL 53 2HG1 VAL 53 -11.380 -8.008 -2.766 479 3HG1 VAL 53 3HG1 VAL 53 -9.621 -7.856 -2.991 480 1HG2 VAL 53 1HG2 VAL 53 -10.050 -5.769 -3.688 481 2HG2 VAL 53 2HG2 VAL 53 -11.291 -4.798 -2.873 482 3HG2 VAL 53 3HG2 VAL 53 -9.588 -4.611 -2.465 483 H ALA 54 H ALA 54 -10.379 -6.842 1.289 484 HA ALA 54 HA ALA 54 -11.095 -9.535 1.759 485 1HB ALA 54 1HB ALA 54 -10.102 -9.112 3.952 486 2HB ALA 54 2HB ALA 54 -9.082 -8.502 2.630 487 3HB ALA 54 3HB ALA 54 -10.045 -7.370 3.617 488 H ARG 55 H ARG 55 -12.592 -6.526 3.084 489 HA ARG 55 HA ARG 55 -14.381 -8.021 4.833 490 1HB ARG 55 1HB ARG 55 -13.655 -5.535 5.051 491 2HB ARG 55 2HB ARG 55 -14.859 -5.215 3.787 492 1HG ARG 55 1HG ARG 55 -16.451 -6.634 5.362 493 2HG ARG 55 2HG ARG 55 -15.244 -6.326 6.601 494 1HD ARG 55 1HD ARG 55 -15.903 -4.171 6.868 495 2HD ARG 55 2HD ARG 55 -16.050 -3.883 5.124 496 HE ARG 55 HE ARG 55 -18.159 -5.548 5.620 497 1HH1 ARG 55 1HH1 ARG 55 -17.284 -2.476 7.010 498 2HH1 ARG 55 2HH1 ARG 55 -18.937 -2.028 7.351 499 1HH2 ARG 55 1HH2 ARG 55 -20.246 -4.954 5.985 500 2HH2 ARG 55 2HH2 ARG 55 -20.599 -3.460 6.797 501 H LEU 56 H LEU 56 -14.679 -6.669 1.550 502 HA LEU 56 HA LEU 56 -17.379 -7.554 1.065 503 1HB LEU 56 1HB LEU 56 -15.190 -6.264 -0.357 504 2HB LEU 56 2HB LEU 56 -15.840 -7.515 -1.364 505 HG LEU 56 HG LEU 56 -17.792 -5.665 0.011 506 1HD1 LEU 56 1HD1 LEU 56 -16.142 -4.099 -0.828 507 2HD1 LEU 56 2HD1 LEU 56 -16.131 -4.897 -2.417 508 3HD1 LEU 56 3HD1 LEU 56 -17.584 -4.045 -1.854 509 1HD2 LEU 56 1HD2 LEU 56 -18.485 -7.626 -1.467 510 2HD2 LEU 56 2HD2 LEU 56 -19.121 -6.052 -1.955 511 3HD2 LEU 56 3HD2 LEU 56 -17.750 -6.751 -2.832 512 H ILE 57 H ILE 57 -14.249 -9.201 0.621 513 HA ILE 57 HA ILE 57 -15.227 -11.663 -0.399 514 HB ILE 57 HB ILE 57 -12.813 -10.812 1.161 515 1HG1 ILE 57 1HG1 ILE 57 -13.074 -12.164 -1.545 516 2HG1 ILE 57 2HG1 ILE 57 -13.273 -10.430 -1.337 517 1HG2 ILE 57 1HG2 ILE 57 -11.790 -13.068 0.944 518 2HG2 ILE 57 2HG2 ILE 57 -13.116 -13.030 2.092 519 3HG2 ILE 57 3HG2 ILE 57 -13.367 -13.725 0.480 520 1HD1 ILE 57 1HD1 ILE 57 -11.006 -10.292 -0.315 521 2HD1 ILE 57 2HD1 ILE 57 -10.758 -11.997 -0.732 522 3HD1 ILE 57 3HD1 ILE 57 -11.058 -10.801 -2.010 523 H GLN 58 H GLN 58 -15.255 -10.498 2.974 524 HA GLN 58 HA GLN 58 -16.188 -13.000 4.063 525 1HB GLN 58 1HB GLN 58 -15.856 -10.224 5.028 526 2HB GLN 58 2HB GLN 58 -17.278 -11.000 5.697 527 1HG GLN 58 1HG GLN 58 -14.430 -12.075 5.810 528 2HG GLN 58 2HG GLN 58 -15.297 -11.279 7.121 529 1HE2 GLN 58 1HE2 GLN 58 -14.706 -14.388 5.612 530 2HE2 GLN 58 2HE2 GLN 58 -15.944 -15.192 6.580 531 H GLU 59 H GLU 59 -17.831 -10.819 1.926 532 HA GLU 59 HA GLU 59 -20.488 -11.728 2.838 533 1HB GLU 59 1HB GLU 59 -19.856 -9.903 0.497 534 2HB GLU 59 2HB GLU 59 -21.395 -10.135 1.329 535 1HG GLU 59 1HG GLU 59 -20.284 -9.274 3.450 536 2HG GLU 59 2HG GLU 59 -18.879 -8.847 2.476 537 H GLU 60 H GLU 60 -18.303 -12.235 0.108 538 HA GLU 60 HA GLU 60 -19.775 -14.755 -0.536 539 1HB GLU 60 1HB GLU 60 -19.534 -12.426 -2.452 540 2HB GLU 60 2HB GLU 60 -19.388 -14.062 -3.079 541 1HG GLU 60 1HG GLU 60 -21.578 -14.643 -1.956 542 2HG GLU 60 2HG GLU 60 -21.779 -12.919 -1.603 543 H GLY 61 H GLY 61 -16.843 -12.848 -1.124 544 1HA GLY 61 1HA GLY 61 -14.656 -13.789 -1.246 545 2HA GLY 61 2HA GLY 61 -15.326 -15.354 -1.674 546 H LEU 62 H LEU 62 -17.055 -14.077 -3.812 547 HA LEU 62 HA LEU 62 -15.538 -14.143 -6.159 548 1HB LEU 62 1HB LEU 62 -17.876 -14.167 -6.345 549 2HB LEU 62 2HB LEU 62 -18.082 -12.770 -5.302 550 HG LEU 62 HG LEU 62 -17.259 -11.272 -7.064 551 1HD1 LEU 62 1HD1 LEU 62 -17.086 -12.043 -9.397 552 2HD1 LEU 62 2HD1 LEU 62 -15.857 -12.846 -8.422 553 3HD1 LEU 62 3HD1 LEU 62 -17.325 -13.727 -8.885 554 1HD2 LEU 62 1HD2 LEU 62 -19.663 -11.740 -6.773 555 2HD2 LEU 62 2HD2 LEU 62 -19.241 -11.361 -8.451 556 3HD2 LEU 62 3HD2 LEU 62 -19.547 -13.046 -7.968 557 H SER 63 H SER 63 -15.932 -11.432 -3.948 558 HA SER 63 HA SER 63 -14.603 -9.409 -5.426 559 1HB SER 63 1HB SER 63 -15.193 -9.822 -2.525 560 2HB SER 63 2HB SER 63 -14.058 -8.545 -3.007 561 HG SER 63 HG SER 63 -16.688 -8.901 -4.046 562 H VAL 64 H VAL 64 -13.068 -12.257 -4.124 563 HA VAL 64 HA VAL 64 -10.365 -11.306 -4.077 564 HB VAL 64 HB VAL 64 -11.635 -13.945 -4.895 565 1HG1 VAL 64 1HG1 VAL 64 -8.770 -13.100 -5.257 566 2HG1 VAL 64 2HG1 VAL 64 -9.166 -14.793 -4.883 567 3HG1 VAL 64 3HG1 VAL 64 -9.812 -14.027 -6.333 568 1HG2 VAL 64 1HG2 VAL 64 -10.321 -14.763 -2.921 569 2HG2 VAL 64 2HG2 VAL 64 -9.789 -13.098 -2.613 570 3HG2 VAL 64 3HG2 VAL 64 -11.507 -13.537 -2.498 571 H SER 65 H SER 65 -12.363 -12.406 -6.874 572 HA SER 65 HA SER 65 -10.240 -11.333 -8.661 573 1HB SER 65 1HB SER 65 -11.847 -13.528 -8.939 574 2HB SER 65 2HB SER 65 -12.757 -12.339 -9.887 575 HG SER 65 HG SER 65 -10.906 -11.983 -11.115 576 H GLU 66 H GLU 66 -13.670 -10.734 -7.786 577 HA GLU 66 HA GLU 66 -14.127 -8.796 -9.789 578 1HB GLU 66 1HB GLU 66 -15.778 -10.125 -8.260 579 2HB GLU 66 2HB GLU 66 -15.583 -8.783 -7.135 580 1HG GLU 66 1HG GLU 66 -17.412 -8.056 -8.289 581 2HG GLU 66 2HG GLU 66 -16.151 -7.297 -9.255 582 H ALA 67 H ALA 67 -13.234 -8.226 -6.282 583 HA ALA 67 HA ALA 67 -13.412 -5.371 -6.726 584 1HB ALA 67 1HB ALA 67 -12.873 -5.121 -4.444 585 2HB ALA 67 2HB ALA 67 -14.016 -6.461 -4.587 586 3HB ALA 67 3HB ALA 67 -12.289 -6.796 -4.328 587 H ILE 68 H ILE 68 -10.823 -7.765 -6.894 588 HA ILE 68 HA ILE 68 -8.647 -5.850 -7.147 589 HB ILE 68 HB ILE 68 -8.897 -8.739 -8.057 590 1HG1 ILE 68 1HG1 ILE 68 -7.354 -7.288 -5.868 591 2HG1 ILE 68 2HG1 ILE 68 -8.769 -8.292 -5.611 592 1HG2 ILE 68 1HG2 ILE 68 -7.384 -7.565 -9.622 593 2HG2 ILE 68 2HG2 ILE 68 -6.506 -6.852 -8.262 594 3HG2 ILE 68 3HG2 ILE 68 -6.460 -8.593 -8.569 595 1HD1 ILE 68 1HD1 ILE 68 -6.903 -9.602 -4.965 596 2HD1 ILE 68 2HD1 ILE 68 -7.423 -10.264 -6.519 597 3HD1 ILE 68 3HD1 ILE 68 -5.999 -9.238 -6.434 598 H ALA 69 H ALA 69 -10.739 -7.547 -9.593 599 HA ALA 69 HA ALA 69 -9.762 -6.128 -11.846 600 1HB ALA 69 1HB ALA 69 -11.158 -8.137 -12.015 601 2HB ALA 69 2HB ALA 69 -12.543 -7.264 -11.328 602 3HB ALA 69 3HB ALA 69 -11.888 -6.788 -12.906 603 H GLN 70 H GLN 70 -12.454 -5.254 -9.615 604 HA GLN 70 HA GLN 70 -13.122 -2.749 -10.740 605 1HB GLN 70 1HB GLN 70 -13.220 -3.701 -7.883 606 2HB GLN 70 2HB GLN 70 -13.785 -2.114 -8.377 607 1HG GLN 70 1HG GLN 70 -15.474 -2.998 -9.809 608 2HG GLN 70 2HG GLN 70 -14.843 -4.637 -9.694 609 1HE2 GLN 70 1HE2 GLN 70 -16.731 -5.648 -8.790 610 2HE2 GLN 70 2HE2 GLN 70 -17.310 -5.123 -7.201 611 H VAL 71 H VAL 71 -10.823 -3.148 -7.893 612 HA VAL 71 HA VAL 71 -10.056 -0.439 -8.113 613 HB VAL 71 HB VAL 71 -9.733 -2.024 -6.152 614 1HG1 VAL 71 1HG1 VAL 71 -7.632 -3.122 -5.852 615 2HG1 VAL 71 2HG1 VAL 71 -8.322 -3.707 -7.365 616 3HG1 VAL 71 3HG1 VAL 71 -7.000 -2.520 -7.399 617 1HG2 VAL 71 1HG2 VAL 71 -7.535 -0.056 -6.896 618 2HG2 VAL 71 2HG2 VAL 71 -9.060 0.294 -6.058 619 3HG2 VAL 71 3HG2 VAL 71 -7.823 -0.708 -5.283 620 H LYS 72 H LYS 72 -8.809 -3.156 -9.973 621 HA LYS 72 HA LYS 72 -6.584 -1.659 -11.166 622 1HB LYS 72 1HB LYS 72 -8.058 -4.208 -11.922 623 2HB LYS 72 2HB LYS 72 -6.725 -3.587 -12.861 624 1HG LYS 72 1HG LYS 72 -6.191 -3.987 -9.915 625 2HG LYS 72 2HG LYS 72 -6.505 -5.422 -10.867 626 1HD LYS 72 1HD LYS 72 -4.310 -5.443 -11.310 627 2HD LYS 72 2HD LYS 72 -4.679 -4.228 -12.509 628 1HE LYS 72 1HE LYS 72 -2.910 -3.263 -11.374 629 2HE LYS 72 2HE LYS 72 -4.293 -2.491 -10.604 630 1HZ LYS 72 1HZ LYS 72 -4.092 -4.112 -8.806 631 2HZ LYS 72 2HZ LYS 72 -2.815 -4.826 -9.539 632 3HZ LYS 72 3HZ LYS 72 -2.690 -3.290 -8.974 633 H THR 73 H THR 73 -10.014 -2.108 -12.061 634 HA THR 73 HA THR 73 -9.568 -0.709 -14.631 635 HB THR 73 HB THR 73 -11.038 -2.814 -14.228 636 HG1 THR 73 HG1 THR 73 -10.897 -1.792 -16.185 637 1HG2 THR 73 1HG2 THR 73 -13.349 -2.505 -13.811 638 2HG2 THR 73 2HG2 THR 73 -12.530 -1.673 -12.491 639 3HG2 THR 73 3HG2 THR 73 -13.213 -0.741 -13.824 640 H GLU 74 H GLU 74 -10.769 0.058 -11.454 641 HA GLU 74 HA GLU 74 -12.069 2.548 -12.020 642 1HB GLU 74 1HB GLU 74 -10.767 1.251 -9.597 643 2HB GLU 74 2HB GLU 74 -11.311 2.916 -9.515 644 1HG GLU 74 1HG GLU 74 -13.594 2.250 -10.190 645 2HG GLU 74 2HG GLU 74 -13.108 0.559 -10.220 646 HA PRO 75 HA PRO 75 -8.650 5.242 -12.673 647 1HB PRO 75 1HB PRO 75 -9.416 7.614 -11.532 648 2HB PRO 75 2HB PRO 75 -10.165 6.932 -13.010 649 1HG PRO 75 1HG PRO 75 -11.163 6.714 -10.152 650 2HG PRO 75 2HG PRO 75 -12.089 7.177 -11.613 651 1HD PRO 75 1HD PRO 75 -12.115 4.640 -10.626 652 2HD PRO 75 2HD PRO 75 -12.160 4.944 -12.386 653 HA PRO 76 HA PRO 76 -6.291 4.744 -8.828 654 1HB PRO 76 1HB PRO 76 -3.842 5.638 -9.654 655 2HB PRO 76 2HB PRO 76 -4.528 4.080 -10.211 656 1HG PRO 76 1HG PRO 76 -4.617 6.769 -11.628 657 2HG PRO 76 2HG PRO 76 -4.110 5.188 -12.305 658 1HD PRO 76 1HD PRO 76 -6.628 6.167 -12.648 659 2HD PRO 76 2HD PRO 76 -6.346 4.414 -12.404 660 H ARG 77 H ARG 77 -5.367 6.109 -7.163 661 HA ARG 77 HA ARG 77 -5.204 8.988 -7.658 662 1HB ARG 77 1HB ARG 77 -7.678 8.283 -6.976 663 2HB ARG 77 2HB ARG 77 -6.999 8.230 -5.353 664 1HG ARG 77 1HG ARG 77 -5.955 10.603 -6.134 665 2HG ARG 77 2HG ARG 77 -7.308 10.546 -7.265 666 1HD ARG 77 1HD ARG 77 -8.874 10.318 -5.355 667 2HD ARG 77 2HD ARG 77 -7.490 10.308 -4.237 668 HE ARG 77 HE ARG 77 -7.276 12.599 -5.862 669 1HH1 ARG 77 1HH1 ARG 77 -9.264 11.479 -3.243 670 2HH1 ARG 77 2HH1 ARG 77 -9.612 13.079 -2.633 671 1HH2 ARG 77 1HH2 ARG 77 -7.725 14.646 -5.105 672 2HH2 ARG 77 2HH2 ARG 77 -8.738 14.862 -3.708 673 H GLU 78 H GLU 78 -3.144 9.122 -7.099 674 HA GLU 78 HA GLU 78 -2.136 8.523 -4.386 675 1HB GLU 78 1HB GLU 78 -1.014 9.667 -6.938 676 2HB GLU 78 2HB GLU 78 -0.308 10.205 -5.415 677 1HG GLU 78 1HG GLU 78 0.204 7.932 -4.742 678 2HG GLU 78 2HG GLU 78 -0.614 7.267 -6.157 Start of MODEL 10 1 1H GLY -2 1H GLY -2 6.793 17.446 9.694 2 2H GLY -2 2H GLY -2 6.836 17.530 8.056 3 3H GLY -2 3H GLY -2 5.939 18.615 8.906 4 1HA GLY -2 1HA GLY -2 4.418 16.963 9.632 5 2HA GLY -2 2HA GLY -2 4.544 16.889 7.867 6 H SER -1 H SER -1 4.054 14.661 7.669 7 HA SER -1 HA SER -1 5.536 12.662 9.296 8 1HB SER -1 1HB SER -1 3.171 11.942 9.973 9 2HB SER -1 2HB SER -1 3.744 13.478 10.637 10 HG SER -1 HG SER -1 1.949 13.108 8.465 11 H HIS 0 H HIS 0 5.286 10.470 8.680 12 HA HIS 0 HA HIS 0 3.539 9.525 6.600 13 1HB HIS 0 1HB HIS 0 6.542 9.676 6.081 14 2HB HIS 0 2HB HIS 0 5.516 8.526 5.244 15 HD1 HIS 0 HD1 HIS 0 3.167 10.029 4.132 16 HD2 HIS 0 HD2 HIS 0 7.019 11.697 4.530 17 HE1 HIS 0 HE1 HIS 0 3.295 11.969 2.438 18 HE2 HIS 0 HE2 HIS 0 5.648 12.981 2.689 19 H MET 1 H MET 1 4.306 6.980 6.149 20 HA MET 1 HA MET 1 5.414 5.586 8.426 21 1HB MET 1 1HB MET 1 2.514 6.125 8.298 22 2HB MET 1 2HB MET 1 2.834 4.398 8.281 23 1HG MET 1 1HG MET 1 4.176 4.573 10.317 24 2HG MET 1 2HG MET 1 3.966 6.328 10.335 25 1HE MET 1 1HE MET 1 1.861 5.185 13.418 26 2HE MET 1 2HE MET 1 3.392 4.499 12.829 27 3HE MET 1 3HE MET 1 3.146 6.261 12.826 28 H THR 2 H THR 2 5.022 3.078 8.123 29 HA THR 2 HA THR 2 4.770 2.149 5.307 30 HB THR 2 HB THR 2 6.867 0.854 5.552 31 HG1 THR 2 HG1 THR 2 6.691 1.105 7.956 32 1HG2 THR 2 1HG2 THR 2 7.038 3.102 4.459 33 2HG2 THR 2 2HG2 THR 2 7.511 3.786 6.034 34 3HG2 THR 2 3HG2 THR 2 8.531 2.564 5.259 35 H LEU 3 H LEU 3 4.095 -0.119 5.178 36 HA LEU 3 HA LEU 3 4.026 -1.732 7.682 37 1HB LEU 3 1HB LEU 3 1.609 -1.406 5.845 38 2HB LEU 3 2HB LEU 3 1.719 -2.317 7.338 39 HG LEU 3 HG LEU 3 2.275 0.098 8.377 40 1HD1 LEU 3 1HD1 LEU 3 1.141 1.913 7.333 41 2HD1 LEU 3 2HD1 LEU 3 2.032 1.179 5.998 42 3HD1 LEU 3 3HD1 LEU 3 0.314 0.855 6.172 43 1HD2 LEU 3 1HD2 LEU 3 -0.126 0.372 8.879 44 2HD2 LEU 3 2HD2 LEU 3 -0.516 -0.867 7.664 45 3HD2 LEU 3 3HD2 LEU 3 0.425 -1.289 9.111 46 H ARG 4 H ARG 4 4.072 -4.061 7.315 47 HA ARG 4 HA ARG 4 4.717 -4.881 4.500 48 1HB ARG 4 1HB ARG 4 6.028 -6.700 5.451 49 2HB ARG 4 2HB ARG 4 6.616 -5.147 6.013 50 1HG ARG 4 1HG ARG 4 5.704 -5.457 8.209 51 2HG ARG 4 2HG ARG 4 4.668 -6.777 7.666 52 1HD ARG 4 1HD ARG 4 6.263 -7.920 8.795 53 2HD ARG 4 2HD ARG 4 6.858 -8.057 7.131 54 HE ARG 4 HE ARG 4 8.029 -5.786 8.449 55 1HH1 ARG 4 1HH1 ARG 4 8.310 -9.264 8.341 56 2HH1 ARG 4 2HH1 ARG 4 9.788 -9.302 9.267 57 1HH2 ARG 4 1HH2 ARG 4 9.948 -5.870 9.657 58 2HH2 ARG 4 2HH2 ARG 4 10.720 -7.404 9.922 59 H ILE 5 H ILE 5 4.327 -7.366 4.093 60 HA ILE 5 HA ILE 5 1.540 -7.810 4.153 61 HB ILE 5 HB ILE 5 3.207 -8.891 2.566 62 1HG1 ILE 5 1HG1 ILE 5 1.918 -10.929 2.217 63 2HG1 ILE 5 2HG1 ILE 5 1.146 -10.768 3.792 64 1HG2 ILE 5 1HG2 ILE 5 3.532 -11.033 4.689 65 2HG2 ILE 5 2HG2 ILE 5 4.194 -11.006 3.055 66 3HG2 ILE 5 3HG2 ILE 5 4.782 -9.836 4.239 67 1HD1 ILE 5 1HD1 ILE 5 0.899 -8.428 1.911 68 2HD1 ILE 5 2HD1 ILE 5 0.042 -9.897 1.483 69 3HD1 ILE 5 3HD1 ILE 5 -0.283 -9.107 3.045 70 H ARG 6 H ARG 6 3.987 -9.104 6.297 71 HA ARG 6 HA ARG 6 2.292 -10.500 8.152 72 1HB ARG 6 1HB ARG 6 5.121 -9.657 7.943 73 2HB ARG 6 2HB ARG 6 4.533 -9.618 9.598 74 1HG ARG 6 1HG ARG 6 3.768 -11.996 9.341 75 2HG ARG 6 2HG ARG 6 4.485 -12.009 7.714 76 1HD ARG 6 1HD ARG 6 6.690 -11.356 8.741 77 2HD ARG 6 2HD ARG 6 5.968 -11.493 10.344 78 HE ARG 6 HE ARG 6 6.916 -13.622 8.628 79 1HH1 ARG 6 1HH1 ARG 6 4.530 -13.093 11.136 80 2HH1 ARG 6 2HH1 ARG 6 4.587 -14.749 11.677 81 1HH2 ARG 6 1HH2 ARG 6 6.948 -15.726 9.346 82 2HH2 ARG 6 2HH2 ARG 6 5.922 -16.203 10.659 83 H THR 7 H THR 7 2.299 -7.181 7.564 84 HA THR 7 HA THR 7 1.237 -6.528 10.270 85 HB THR 7 HB THR 7 1.913 -4.573 8.046 86 HG1 THR 7 HG1 THR 7 3.442 -4.969 10.351 87 1HG2 THR 7 1HG2 THR 7 0.371 -3.686 9.727 88 2HG2 THR 7 2HG2 THR 7 1.419 -4.252 11.042 89 3HG2 THR 7 3HG2 THR 7 1.974 -2.963 9.950 90 H ILE 8 H ILE 8 0.518 -6.273 6.728 91 HA ILE 8 HA ILE 8 -2.217 -5.485 7.027 92 HB ILE 8 HB ILE 8 -1.097 -7.264 4.814 93 1HG1 ILE 8 1HG1 ILE 8 -1.168 -4.237 5.107 94 2HG1 ILE 8 2HG1 ILE 8 0.242 -5.258 4.867 95 1HG2 ILE 8 1HG2 ILE 8 -3.017 -6.513 3.538 96 2HG2 ILE 8 2HG2 ILE 8 -3.634 -7.153 5.037 97 3HG2 ILE 8 3HG2 ILE 8 -3.518 -5.396 4.829 98 1HD1 ILE 8 1HD1 ILE 8 -1.913 -4.730 2.780 99 2HD1 ILE 8 2HD1 ILE 8 -0.283 -4.094 2.816 100 3HD1 ILE 8 3HD1 ILE 8 -0.531 -5.841 2.582 101 H ALA 9 H ALA 9 -0.849 -8.811 6.630 102 HA ALA 9 HA ALA 9 -3.296 -10.185 6.919 103 1HB ALA 9 1HB ALA 9 -0.480 -11.086 7.674 104 2HB ALA 9 2HB ALA 9 -1.878 -12.124 7.359 105 3HB ALA 9 3HB ALA 9 -1.186 -11.157 6.046 106 H ARG 10 H ARG 10 -1.080 -9.005 9.388 107 HA ARG 10 HA ARG 10 -2.137 -10.251 11.719 108 1HB ARG 10 1HB ARG 10 -0.321 -8.016 11.076 109 2HB ARG 10 2HB ARG 10 -1.268 -7.704 12.518 110 1HG ARG 10 1HG ARG 10 -0.516 -9.916 13.454 111 2HG ARG 10 2HG ARG 10 0.537 -10.108 12.032 112 1HD ARG 10 1HD ARG 10 1.552 -7.837 12.612 113 2HD ARG 10 2HD ARG 10 0.586 -7.846 14.083 114 HE ARG 10 HE ARG 10 1.954 -9.466 15.031 115 1HH1 ARG 10 1HH1 ARG 10 2.961 -9.117 11.679 116 2HH1 ARG 10 2HH1 ARG 10 4.627 -9.527 12.046 117 1HH2 ARG 10 1HH2 ARG 10 4.058 -10.146 15.397 118 2HH2 ARG 10 2HH2 ARG 10 5.188 -10.226 14.086 119 H MET 11 H MET 11 -3.718 -7.862 9.772 120 HA MET 11 HA MET 11 -5.492 -6.680 11.650 121 1HB MET 11 1HB MET 11 -5.891 -7.656 8.798 122 2HB MET 11 2HB MET 11 -7.139 -6.789 9.685 123 1HG MET 11 1HG MET 11 -4.377 -5.589 9.387 124 2HG MET 11 2HG MET 11 -5.557 -5.491 8.091 125 1HE MET 11 1HE MET 11 -4.709 -3.811 11.766 126 2HE MET 11 2HE MET 11 -3.891 -3.548 10.210 127 3HE MET 11 3HE MET 11 -4.966 -2.303 10.868 128 H THR 12 H THR 12 -5.569 -9.954 10.214 129 HA THR 12 HA THR 12 -7.408 -10.829 12.380 130 HB THR 12 HB THR 12 -9.033 -11.895 10.911 131 HG1 THR 12 HG1 THR 12 -8.004 -10.462 8.764 132 1HG2 THR 12 1HG2 THR 12 -9.555 -9.556 11.582 133 2HG2 THR 12 2HG2 THR 12 -8.834 -8.977 10.067 134 3HG2 THR 12 3HG2 THR 12 -10.265 -10.024 10.028 135 H GLY 13 H GLY 13 -4.877 -11.675 10.174 136 1HA GLY 13 1HA GLY 13 -3.695 -13.586 9.862 137 2HA GLY 13 2HA GLY 13 -4.639 -14.402 11.113 138 H ILE 14 H ILE 14 -7.222 -14.281 10.061 139 HA ILE 14 HA ILE 14 -7.233 -16.466 8.319 140 HB ILE 14 HB ILE 14 -9.447 -16.541 8.473 141 1HG1 ILE 14 1HG1 ILE 14 -10.998 -14.473 8.601 142 2HG1 ILE 14 2HG1 ILE 14 -9.646 -13.573 7.931 143 1HG2 ILE 14 1HG2 ILE 14 -10.328 -15.623 10.498 144 2HG2 ILE 14 2HG2 ILE 14 -8.618 -15.967 10.774 145 3HG2 ILE 14 3HG2 ILE 14 -9.166 -14.294 10.495 146 1HD1 ILE 14 1HD1 ILE 14 -10.809 -16.081 6.614 147 2HD1 ILE 14 2HD1 ILE 14 -11.480 -14.471 6.330 148 3HD1 ILE 14 3HD1 ILE 14 -9.825 -14.824 5.840 149 H ARG 15 H ARG 15 -7.260 -13.070 7.440 150 HA ARG 15 HA ARG 15 -7.650 -13.508 4.586 151 1HB ARG 15 1HB ARG 15 -6.401 -11.112 5.985 152 2HB ARG 15 2HB ARG 15 -6.967 -11.165 4.318 153 1HG ARG 15 1HG ARG 15 -8.719 -11.409 6.791 154 2HG ARG 15 2HG ARG 15 -8.531 -9.988 5.780 155 1HD ARG 15 1HD ARG 15 -9.469 -11.362 3.861 156 2HD ARG 15 2HD ARG 15 -9.825 -12.648 5.020 157 HE ARG 15 HE ARG 15 -11.342 -10.259 4.539 158 1HH1 ARG 15 1HH1 ARG 15 -10.811 -12.466 7.175 159 2HH1 ARG 15 2HH1 ARG 15 -12.119 -11.801 8.110 160 1HH2 ARG 15 1HH2 ARG 15 -12.890 -9.505 5.626 161 2HH2 ARG 15 2HH2 ARG 15 -13.242 -9.983 7.284 162 H GLU 16 H GLU 16 -4.833 -14.136 6.546 163 HA GLU 16 HA GLU 16 -2.796 -13.351 4.716 164 1HB GLU 16 1HB GLU 16 -2.598 -14.175 7.163 165 2HB GLU 16 2HB GLU 16 -2.609 -15.797 6.492 166 1HG GLU 16 1HG GLU 16 -0.714 -14.071 5.034 167 2HG GLU 16 2HG GLU 16 -0.422 -13.971 6.759 168 H ALA 17 H ALA 17 -4.656 -16.363 4.984 169 HA ALA 17 HA ALA 17 -3.450 -17.867 2.925 170 1HB ALA 17 1HB ALA 17 -5.012 -18.808 4.549 171 2HB ALA 17 2HB ALA 17 -6.330 -17.792 3.923 172 3HB ALA 17 3HB ALA 17 -5.637 -19.075 2.910 173 H THR 18 H THR 18 -5.670 -15.183 2.702 174 HA THR 18 HA THR 18 -6.233 -15.512 -0.197 175 HB THR 18 HB THR 18 -7.196 -13.691 2.017 176 HG1 THR 18 HG1 THR 18 -8.113 -15.760 1.452 177 1HG2 THR 18 1HG2 THR 18 -7.700 -13.258 -0.934 178 2HG2 THR 18 2HG2 THR 18 -8.583 -12.487 0.404 179 3HG2 THR 18 3HG2 THR 18 -6.871 -12.128 0.176 180 H LEU 19 H LEU 19 -4.541 -13.221 1.989 181 HA LEU 19 HA LEU 19 -3.484 -11.475 0.038 182 1HB LEU 19 1HB LEU 19 -2.480 -12.342 2.776 183 2HB LEU 19 2HB LEU 19 -1.756 -11.033 1.870 184 HG LEU 19 HG LEU 19 -4.721 -10.960 2.510 185 1HD1 LEU 19 1HD1 LEU 19 -2.452 -9.945 4.271 186 2HD1 LEU 19 2HD1 LEU 19 -4.182 -9.603 4.501 187 3HD1 LEU 19 3HD1 LEU 19 -3.583 -11.255 4.668 188 1HD2 LEU 19 1HD2 LEU 19 -4.483 -8.605 2.256 189 2HD2 LEU 19 2HD2 LEU 19 -2.707 -8.698 2.195 190 3HD2 LEU 19 3HD2 LEU 19 -3.672 -9.339 0.861 191 H ARG 20 H ARG 20 -1.870 -14.350 1.506 192 HA ARG 20 HA ARG 20 0.454 -14.240 -0.206 193 1HB ARG 20 1HB ARG 20 1.079 -16.273 0.771 194 2HB ARG 20 2HB ARG 20 0.144 -15.475 2.039 195 1HG ARG 20 1HG ARG 20 -1.882 -16.836 1.187 196 2HG ARG 20 2HG ARG 20 -0.729 -17.734 0.188 197 1HD ARG 20 1HD ARG 20 0.511 -18.331 2.284 198 2HD ARG 20 2HD ARG 20 -0.822 -17.589 3.205 199 HE ARG 20 HE ARG 20 -2.157 -19.256 1.534 200 1HH1 ARG 20 1HH1 ARG 20 0.428 -19.848 3.780 201 2HH1 ARG 20 2HH1 ARG 20 0.064 -21.545 3.981 202 1HH2 ARG 20 1HH2 ARG 20 -2.705 -21.398 1.858 203 2HH2 ARG 20 2HH2 ARG 20 -1.754 -22.387 2.925 204 H ALA 21 H ALA 21 -2.726 -15.774 -0.633 205 HA ALA 21 HA ALA 21 -2.012 -17.264 -2.999 206 1HB ALA 21 1HB ALA 21 -4.465 -17.350 -3.398 207 2HB ALA 21 2HB ALA 21 -4.018 -17.851 -1.759 208 3HB ALA 21 3HB ALA 21 -4.721 -16.243 -2.037 209 H TRP 22 H TRP 22 -3.472 -13.975 -2.512 210 HA TRP 22 HA TRP 22 -3.668 -13.274 -5.220 211 1HB TRP 22 1HB TRP 22 -2.912 -11.455 -2.936 212 2HB TRP 22 2HB TRP 22 -3.457 -10.995 -4.553 213 HD1 TRP 22 HD1 TRP 22 -5.931 -13.183 -4.531 214 HE1 TRP 22 HE1 TRP 22 -8.086 -12.313 -3.437 215 HE3 TRP 22 HE3 TRP 22 -3.946 -9.574 -1.529 216 HZ2 TRP 22 HZ2 TRP 22 -8.849 -10.214 -1.675 217 HZ3 TRP 22 HZ3 TRP 22 -5.420 -8.117 -0.155 218 HH2 TRP 22 HH2 TRP 22 -7.885 -8.427 -0.203 219 H GLU 23 H GLU 23 -0.711 -13.051 -3.174 220 HA GLU 23 HA GLU 23 0.985 -11.772 -5.010 221 1HB GLU 23 1HB GLU 23 2.271 -12.065 -3.247 222 2HB GLU 23 2HB GLU 23 1.276 -13.357 -2.608 223 1HG GLU 23 1HG GLU 23 2.517 -15.022 -3.931 224 2HG GLU 23 2HG GLU 23 3.495 -13.741 -4.661 225 H ARG 24 H ARG 24 -0.169 -15.082 -5.142 226 HA ARG 24 HA ARG 24 1.354 -15.635 -7.661 227 1HB ARG 24 1HB ARG 24 -0.026 -17.299 -5.534 228 2HB ARG 24 2HB ARG 24 0.241 -17.986 -7.140 229 1HG ARG 24 1HG ARG 24 2.586 -17.771 -7.012 230 2HG ARG 24 2HG ARG 24 2.534 -16.712 -5.599 231 1HD ARG 24 1HD ARG 24 2.169 -18.407 -4.110 232 2HD ARG 24 2HD ARG 24 1.236 -19.385 -5.238 233 HE ARG 24 HE ARG 24 4.126 -19.435 -4.822 234 1HH1 ARG 24 1HH1 ARG 24 1.612 -20.267 -7.097 235 2HH1 ARG 24 2HH1 ARG 24 2.551 -21.500 -7.896 236 1HH2 ARG 24 1HH2 ARG 24 5.334 -21.029 -5.873 237 2HH2 ARG 24 2HH2 ARG 24 4.633 -21.909 -7.197 238 H ARG 25 H ARG 25 -1.809 -14.843 -6.617 239 HA ARG 25 HA ARG 25 -3.121 -15.936 -9.034 240 1HB ARG 25 1HB ARG 25 -3.845 -16.174 -6.563 241 2HB ARG 25 2HB ARG 25 -4.463 -14.528 -6.713 242 1HG ARG 25 1HG ARG 25 -6.014 -15.302 -8.486 243 2HG ARG 25 2HG ARG 25 -5.316 -16.933 -8.377 244 1HD ARG 25 1HD ARG 25 -5.952 -17.098 -6.012 245 2HD ARG 25 2HD ARG 25 -6.613 -15.457 -6.036 246 HE ARG 25 HE ARG 25 -8.021 -16.703 -8.023 247 1HH1 ARG 25 1HH1 ARG 25 -7.598 -17.374 -4.615 248 2HH1 ARG 25 2HH1 ARG 25 -9.110 -18.227 -4.468 249 1HH2 ARG 25 1HH2 ARG 25 -9.923 -17.894 -7.820 250 2HH2 ARG 25 2HH2 ARG 25 -10.395 -18.516 -6.269 251 H TYR 26 H TYR 26 -2.284 -12.771 -7.794 252 HA TYR 26 HA TYR 26 -3.100 -11.521 -10.367 253 1HB TYR 26 1HB TYR 26 -4.005 -10.275 -7.742 254 2HB TYR 26 2HB TYR 26 -4.366 -9.734 -9.373 255 HD1 TYR 26 HD1 TYR 26 -5.934 -11.089 -10.826 256 HD2 TYR 26 HD2 TYR 26 -5.288 -11.944 -6.653 257 HE1 TYR 26 HE1 TYR 26 -7.965 -12.524 -10.812 258 HE2 TYR 26 HE2 TYR 26 -7.304 -13.416 -6.657 259 HH TYR 26 HH TYR 26 -9.516 -13.508 -9.364 260 H GLY 27 H GLY 27 -1.505 -11.111 -7.204 261 1HA GLY 27 1HA GLY 27 0.613 -10.125 -6.906 262 2HA GLY 27 2HA GLY 27 0.370 -9.095 -8.312 263 H PHE 28 H PHE 28 -2.498 -8.931 -6.541 264 HA PHE 28 HA PHE 28 -1.767 -6.340 -5.318 265 1HB PHE 28 1HB PHE 28 -3.704 -6.258 -6.653 266 2HB PHE 28 2HB PHE 28 -4.328 -7.753 -5.999 267 HD1 PHE 28 HD1 PHE 28 -4.081 -4.107 -5.462 268 HD2 PHE 28 HD2 PHE 28 -5.409 -7.847 -3.756 269 HE1 PHE 28 HE1 PHE 28 -5.615 -2.891 -3.977 270 HE2 PHE 28 HE2 PHE 28 -7.004 -6.620 -2.318 271 HZ PHE 28 HZ PHE 28 -7.140 -4.135 -2.455 272 HA PRO 29 HA PRO 29 -2.001 -4.993 -3.573 273 1HB PRO 29 1HB PRO 29 -0.651 -4.415 -1.302 274 2HB PRO 29 2HB PRO 29 -2.415 -4.466 -1.386 275 1HG PRO 29 1HG PRO 29 -0.518 -6.655 -0.420 276 2HG PRO 29 2HG PRO 29 -1.985 -6.083 0.403 277 1HD PRO 29 1HD PRO 29 -1.918 -8.313 -1.195 278 2HD PRO 29 2HD PRO 29 -3.372 -7.285 -1.081 279 H ARG 30 H ARG 30 -0.058 -4.181 -4.331 280 HA ARG 30 HA ARG 30 1.860 -6.320 -4.963 281 1HB ARG 30 1HB ARG 30 0.720 -4.861 -6.670 282 2HB ARG 30 2HB ARG 30 1.790 -3.541 -6.186 283 1HG ARG 30 1HG ARG 30 2.814 -6.315 -6.979 284 2HG ARG 30 2HG ARG 30 2.438 -5.098 -8.182 285 1HD ARG 30 1HD ARG 30 4.171 -3.980 -6.079 286 2HD ARG 30 2HD ARG 30 4.885 -5.424 -6.780 287 HE ARG 30 HE ARG 30 4.456 -2.832 -8.036 288 1HH1 ARG 30 1HH1 ARG 30 4.912 -6.210 -8.779 289 2HH1 ARG 30 2HH1 ARG 30 5.386 -5.927 -10.432 290 1HH2 ARG 30 1HH2 ARG 30 5.037 -2.476 -10.177 291 2HH2 ARG 30 2HH2 ARG 30 5.457 -3.819 -11.198 292 HA PRO 31 HA PRO 31 4.346 -4.690 -1.617 293 1HB PRO 31 1HB PRO 31 6.474 -6.445 -1.793 294 2HB PRO 31 2HB PRO 31 4.911 -6.827 -1.023 295 1HG PRO 31 1HG PRO 31 5.882 -7.514 -3.803 296 2HG PRO 31 2HG PRO 31 5.011 -8.560 -2.635 297 1HD PRO 31 1HD PRO 31 3.756 -7.297 -4.697 298 2HD PRO 31 2HD PRO 31 2.959 -7.540 -3.115 299 H LEU 32 H LEU 32 5.113 -2.719 -2.080 300 HA LEU 32 HA LEU 32 6.545 -2.171 -4.540 301 1HB LEU 32 1HB LEU 32 7.111 0.063 -3.410 302 2HB LEU 32 2HB LEU 32 5.480 -0.255 -3.922 303 HG LEU 32 HG LEU 32 6.105 -0.906 -1.063 304 1HD1 LEU 32 1HD1 LEU 32 5.878 1.965 -2.013 305 2HD1 LEU 32 2HD1 LEU 32 5.832 1.405 -0.327 306 3HD1 LEU 32 3HD1 LEU 32 7.308 1.196 -1.276 307 1HD2 LEU 32 1HD2 LEU 32 3.823 0.549 -2.515 308 2HD2 LEU 32 2HD2 LEU 32 3.792 -1.141 -1.976 309 3HD2 LEU 32 3HD2 LEU 32 3.860 0.186 -0.795 310 H ARG 33 H ARG 33 8.649 -1.385 -4.740 311 HA ARG 33 HA ARG 33 10.655 -3.014 -3.436 312 1HB ARG 33 1HB ARG 33 10.802 -0.616 -5.321 313 2HB ARG 33 2HB ARG 33 12.246 -1.392 -4.647 314 1HG ARG 33 1HG ARG 33 11.532 -3.574 -5.536 315 2HG ARG 33 2HG ARG 33 10.106 -2.833 -6.277 316 1HD ARG 33 1HD ARG 33 11.302 -1.914 -8.006 317 2HD ARG 33 2HD ARG 33 12.685 -1.533 -6.983 318 HE ARG 33 HE ARG 33 13.716 -3.393 -7.722 319 1HH1 ARG 33 1HH1 ARG 33 10.316 -4.125 -8.050 320 2HH1 ARG 33 2HH1 ARG 33 10.604 -5.710 -8.724 321 1HH2 ARG 33 1HH2 ARG 33 14.055 -5.418 -8.576 322 2HH2 ARG 33 2HH2 ARG 33 12.704 -6.412 -9.018 323 H SER 34 H SER 34 12.573 -2.066 -2.322 324 HA SER 34 HA SER 34 12.162 0.230 -0.626 325 1HB SER 34 1HB SER 34 11.839 -2.579 0.524 326 2HB SER 34 2HB SER 34 12.080 -1.106 1.492 327 HG SER 34 HG SER 34 10.078 -0.857 -0.380 328 H GLU 35 H GLU 35 13.991 0.032 1.185 329 HA GLU 35 HA GLU 35 16.386 -0.101 -0.396 330 1HB GLU 35 1HB GLU 35 15.520 1.349 1.852 331 2HB GLU 35 2HB GLU 35 16.771 0.292 2.502 332 1HG GLU 35 1HG GLU 35 18.134 1.068 0.357 333 2HG GLU 35 2HG GLU 35 16.958 2.381 0.309 334 H GLY 36 H GLY 36 18.462 -0.881 1.117 335 1HA GLY 36 1HA GLY 36 18.669 -3.604 0.507 336 2HA GLY 36 2HA GLY 36 19.761 -2.734 1.588 337 H ASN 37 H ASN 37 18.515 -2.291 3.844 338 HA ASN 37 HA ASN 37 17.848 -4.963 4.938 339 1HB ASN 37 1HB ASN 37 17.944 -3.738 7.135 340 2HB ASN 37 2HB ASN 37 19.442 -3.717 6.208 341 1HD2 ASN 37 1HD2 ASN 37 20.388 -1.677 5.787 342 2HD2 ASN 37 2HD2 ASN 37 19.462 -0.193 6.026 343 H ASN 38 H ASN 38 16.148 -1.937 4.236 344 HA ASN 38 HA ASN 38 13.770 -2.568 5.720 345 1HB ASN 38 1HB ASN 38 14.511 -0.278 4.952 346 2HB ASN 38 2HB ASN 38 14.041 -0.716 3.312 347 1HD2 ASN 38 1HD2 ASN 38 11.392 -1.931 3.578 348 2HD2 ASN 38 2HD2 ASN 38 10.499 -0.696 4.453 349 H TYR 39 H TYR 39 13.045 -4.628 5.255 350 HA TYR 39 HA TYR 39 12.688 -5.872 2.819 351 1HB TYR 39 1HB TYR 39 10.469 -6.129 4.825 352 2HB TYR 39 2HB TYR 39 11.310 -7.380 3.926 353 HD1 TYR 39 HD1 TYR 39 11.053 -5.580 7.029 354 HD2 TYR 39 HD2 TYR 39 13.809 -7.855 4.616 355 HE1 TYR 39 HE1 TYR 39 12.580 -5.851 9.002 356 HE2 TYR 39 HE2 TYR 39 15.301 -8.137 6.577 357 HH TYR 39 HH TYR 39 15.698 -7.489 8.763 358 H ARG 40 H ARG 40 10.660 -6.340 1.594 359 HA ARG 40 HA ARG 40 9.519 -3.955 0.489 360 1HB ARG 40 1HB ARG 40 8.464 -6.810 0.303 361 2HB ARG 40 2HB ARG 40 8.009 -5.430 -0.713 362 1HG ARG 40 1HG ARG 40 10.327 -5.285 -1.585 363 2HG ARG 40 2HG ARG 40 10.773 -6.698 -0.600 364 1HD ARG 40 1HD ARG 40 8.919 -7.982 -1.764 365 2HD ARG 40 2HD ARG 40 8.729 -6.592 -2.855 366 HE ARG 40 HE ARG 40 11.470 -7.469 -2.752 367 1HH1 ARG 40 1HH1 ARG 40 8.420 -8.431 -4.150 368 2HH1 ARG 40 2HH1 ARG 40 9.148 -9.399 -5.402 369 1HH2 ARG 40 1HH2 ARG 40 12.397 -8.727 -4.364 370 2HH2 ARG 40 2HH2 ARG 40 11.382 -9.543 -5.511 371 H VAL 41 H VAL 41 7.579 -3.009 0.668 372 HA VAL 41 HA VAL 41 5.738 -3.745 2.874 373 HB VAL 41 HB VAL 41 5.806 -1.271 3.601 374 1HG1 VAL 41 1HG1 VAL 41 7.624 -1.625 5.149 375 2HG1 VAL 41 2HG1 VAL 41 6.677 -3.106 4.964 376 3HG1 VAL 41 3HG1 VAL 41 8.252 -2.965 4.168 377 1HG2 VAL 41 1HG2 VAL 41 7.142 -0.436 1.645 378 2HG2 VAL 41 2HG2 VAL 41 7.754 0.024 3.246 379 3HG2 VAL 41 3HG2 VAL 41 8.548 -1.275 2.348 380 H TYR 42 H TYR 42 4.044 -1.800 2.941 381 HA TYR 42 HA TYR 42 2.876 -1.458 0.226 382 1HB TYR 42 1HB TYR 42 1.575 -2.344 2.823 383 2HB TYR 42 2HB TYR 42 0.708 -1.952 1.335 384 HD1 TYR 42 HD1 TYR 42 2.377 -4.579 3.118 385 HD2 TYR 42 HD2 TYR 42 1.469 -3.138 -0.843 386 HE1 TYR 42 HE1 TYR 42 2.662 -6.885 2.178 387 HE2 TYR 42 HE2 TYR 42 1.777 -5.398 -1.719 388 HH TYR 42 HH TYR 42 1.809 -7.611 -1.200 389 H SER 43 H SER 43 1.490 0.295 -0.088 390 HA SER 43 HA SER 43 1.879 2.607 1.664 391 1HB SER 43 1HB SER 43 0.747 3.740 -0.306 392 2HB SER 43 2HB SER 43 2.315 2.999 -0.640 393 HG SER 43 HG SER 43 0.398 2.620 -2.170 394 H ARG 44 H ARG 44 0.075 3.923 2.211 395 HA ARG 44 HA ARG 44 -1.870 2.472 3.677 396 1HB ARG 44 1HB ARG 44 -0.735 4.831 3.954 397 2HB ARG 44 2HB ARG 44 -2.116 5.433 3.058 398 1HG ARG 44 1HG ARG 44 -3.482 5.291 4.853 399 2HG ARG 44 2HG ARG 44 -2.965 3.658 5.264 400 1HD ARG 44 1HD ARG 44 -1.488 4.340 6.830 401 2HD ARG 44 2HD ARG 44 -0.873 5.674 5.847 402 HE ARG 44 HE ARG 44 -3.453 6.395 6.727 403 1HH1 ARG 44 1HH1 ARG 44 -0.301 5.864 8.141 404 2HH1 ARG 44 2HH1 ARG 44 -0.493 7.095 9.355 405 1HH2 ARG 44 1HH2 ARG 44 -3.669 8.008 8.282 406 2HH2 ARG 44 2HH2 ARG 44 -2.382 8.297 9.411 407 H GLU 45 H GLU 45 -2.112 4.118 0.652 408 HA GLU 45 HA GLU 45 -4.849 3.827 -0.102 409 1HB GLU 45 1HB GLU 45 -3.676 3.786 -2.456 410 2HB GLU 45 2HB GLU 45 -3.639 5.256 -1.479 411 1HG GLU 45 1HG GLU 45 -1.390 5.087 -0.972 412 2HG GLU 45 2HG GLU 45 -1.397 3.341 -1.055 413 H GLU 46 H GLU 46 -2.036 1.607 -0.833 414 HA GLU 46 HA GLU 46 -3.647 -0.465 -1.986 415 1HB GLU 46 1HB GLU 46 -0.901 -0.335 -0.724 416 2HB GLU 46 2HB GLU 46 -1.620 -1.910 -0.999 417 1HG GLU 46 1HG GLU 46 -1.400 0.119 -3.248 418 2HG GLU 46 2HG GLU 46 -0.065 -0.942 -2.797 419 H VAL 47 H VAL 47 -2.477 -0.008 1.381 420 HA VAL 47 HA VAL 47 -3.878 -2.235 2.483 421 HB VAL 47 HB VAL 47 -2.961 0.355 3.768 422 1HG1 VAL 47 1HG1 VAL 47 -4.778 -0.455 5.184 423 2HG1 VAL 47 2HG1 VAL 47 -4.169 -2.122 5.087 424 3HG1 VAL 47 3HG1 VAL 47 -3.246 -0.872 5.952 425 1HG2 VAL 47 1HG2 VAL 47 -1.214 -1.128 4.701 426 2HG2 VAL 47 2HG2 VAL 47 -1.967 -2.516 3.890 427 3HG2 VAL 47 3HG2 VAL 47 -1.211 -1.234 2.934 428 H GLU 48 H GLU 48 -5.095 1.142 2.057 429 HA GLU 48 HA GLU 48 -7.651 0.746 3.198 430 1HB GLU 48 1HB GLU 48 -6.762 2.926 2.634 431 2HB GLU 48 2HB GLU 48 -6.765 2.555 0.915 432 1HG GLU 48 1HG GLU 48 -8.954 3.044 0.671 433 2HG GLU 48 2HG GLU 48 -9.427 2.153 2.113 434 H ALA 49 H ALA 49 -6.713 0.392 -0.274 435 HA ALA 49 HA ALA 49 -9.188 -0.658 -1.193 436 1HB ALA 49 1HB ALA 49 -7.837 -1.610 -3.037 437 2HB ALA 49 2HB ALA 49 -7.417 0.086 -2.707 438 3HB ALA 49 3HB ALA 49 -6.346 -1.218 -2.155 439 H VAL 50 H VAL 50 -6.286 -2.441 -0.028 440 HA VAL 50 HA VAL 50 -7.329 -5.068 -0.185 441 HB VAL 50 HB VAL 50 -5.292 -3.839 1.698 442 1HG1 VAL 50 1HG1 VAL 50 -4.528 -6.282 1.941 443 2HG1 VAL 50 2HG1 VAL 50 -5.922 -5.783 2.904 444 3HG1 VAL 50 3HG1 VAL 50 -6.164 -6.732 1.424 445 1HG2 VAL 50 1HG2 VAL 50 -4.835 -4.006 -0.834 446 2HG2 VAL 50 2HG2 VAL 50 -3.699 -4.748 0.288 447 3HG2 VAL 50 3HG2 VAL 50 -4.871 -5.755 -0.616 448 H ARG 51 H ARG 51 -7.419 -2.846 2.638 449 HA ARG 51 HA ARG 51 -8.799 -4.591 4.406 450 1HB ARG 51 1HB ARG 51 -7.531 -2.521 4.947 451 2HB ARG 51 2HB ARG 51 -8.824 -1.537 4.274 452 1HG ARG 51 1HG ARG 51 -9.146 -3.462 6.632 453 2HG ARG 51 2HG ARG 51 -8.682 -1.763 6.781 454 1HD ARG 51 1HD ARG 51 -10.816 -1.173 5.521 455 2HD ARG 51 2HD ARG 51 -11.335 -2.853 5.796 456 HE ARG 51 HE ARG 51 -10.574 -2.018 8.290 457 1HH1 ARG 51 1HH1 ARG 51 -12.814 -0.668 5.992 458 2HH1 ARG 51 2HH1 ARG 51 -13.748 0.179 7.199 459 1HH2 ARG 51 1HH2 ARG 51 -11.800 -0.965 9.838 460 2HH2 ARG 51 2HH2 ARG 51 -13.190 -0.042 9.368 461 H ARG 52 H ARG 52 -10.073 -2.219 2.049 462 HA ARG 52 HA ARG 52 -12.871 -2.842 2.431 463 1HB ARG 52 1HB ARG 52 -11.226 -1.455 0.347 464 2HB ARG 52 2HB ARG 52 -12.732 -2.184 -0.224 465 1HG ARG 52 1HG ARG 52 -14.016 -1.019 1.489 466 2HG ARG 52 2HG ARG 52 -12.539 -0.292 2.157 467 1HD ARG 52 1HD ARG 52 -12.155 0.995 0.169 468 2HD ARG 52 2HD ARG 52 -13.370 0.104 -0.749 469 HE ARG 52 HE ARG 52 -13.811 2.291 1.137 470 1HH1 ARG 52 1HH1 ARG 52 -15.394 -0.313 -0.580 471 2HH1 ARG 52 2HH1 ARG 52 -16.995 0.324 -0.337 472 1HH2 ARG 52 1HH2 ARG 52 -15.888 3.098 1.433 473 2HH2 ARG 52 2HH2 ARG 52 -17.253 2.238 0.787 474 H VAL 53 H VAL 53 -10.666 -4.137 -0.094 475 HA VAL 53 HA VAL 53 -12.407 -6.075 -1.161 476 HB VAL 53 HB VAL 53 -9.376 -6.227 -0.867 477 1HG1 VAL 53 1HG1 VAL 53 -9.549 -7.826 -2.815 478 2HG1 VAL 53 2HG1 VAL 53 -10.150 -8.433 -1.276 479 3HG1 VAL 53 3HG1 VAL 53 -11.301 -7.902 -2.504 480 1HG2 VAL 53 1HG2 VAL 53 -11.170 -4.789 -2.752 481 2HG2 VAL 53 2HG2 VAL 53 -9.482 -4.502 -2.346 482 3HG2 VAL 53 3HG2 VAL 53 -9.878 -5.726 -3.529 483 H ALA 54 H ALA 54 -10.109 -6.534 1.528 484 HA ALA 54 HA ALA 54 -10.732 -9.191 2.214 485 1HB ALA 54 1HB ALA 54 -9.718 -6.864 3.902 486 2HB ALA 54 2HB ALA 54 -9.641 -8.568 4.367 487 3HB ALA 54 3HB ALA 54 -8.725 -7.998 2.961 488 H ARG 55 H ARG 55 -12.319 -6.118 3.394 489 HA ARG 55 HA ARG 55 -14.095 -7.692 5.114 490 1HB ARG 55 1HB ARG 55 -13.481 -5.314 5.560 491 2HB ARG 55 2HB ARG 55 -14.501 -4.826 4.202 492 1HG ARG 55 1HG ARG 55 -15.911 -6.719 5.990 493 2HG ARG 55 2HG ARG 55 -15.260 -5.398 6.922 494 1HD ARG 55 1HD ARG 55 -16.733 -4.655 4.402 495 2HD ARG 55 2HD ARG 55 -17.676 -5.387 5.707 496 HE ARG 55 HE ARG 55 -15.950 -3.303 6.704 497 1HH1 ARG 55 1HH1 ARG 55 -19.048 -3.757 5.134 498 2HH1 ARG 55 2HH1 ARG 55 -19.777 -2.380 5.906 499 1HH2 ARG 55 1HH2 ARG 55 -16.935 -1.588 7.750 500 2HH2 ARG 55 2HH2 ARG 55 -18.569 -1.158 7.347 501 H LEU 56 H LEU 56 -14.386 -6.330 1.834 502 HA LEU 56 HA LEU 56 -17.043 -7.150 1.274 503 1HB LEU 56 1HB LEU 56 -14.674 -6.215 -0.192 504 2HB LEU 56 2HB LEU 56 -15.388 -7.534 -1.026 505 HG LEU 56 HG LEU 56 -16.271 -5.644 -2.008 506 1HD1 LEU 56 1HD1 LEU 56 -18.523 -6.356 -0.100 507 2HD1 LEU 56 2HD1 LEU 56 -18.631 -5.792 -1.766 508 3HD1 LEU 56 3HD1 LEU 56 -18.000 -7.413 -1.425 509 1HD2 LEU 56 1HD2 LEU 56 -16.958 -4.549 0.740 510 2HD2 LEU 56 2HD2 LEU 56 -15.655 -3.992 -0.337 511 3HD2 LEU 56 3HD2 LEU 56 -17.349 -3.787 -0.820 512 H ILE 57 H ILE 57 -14.007 -8.995 0.957 513 HA ILE 57 HA ILE 57 -15.067 -11.433 0.007 514 HB ILE 57 HB ILE 57 -12.625 -10.645 1.578 515 1HG1 ILE 57 1HG1 ILE 57 -12.944 -11.969 -1.150 516 2HG1 ILE 57 2HG1 ILE 57 -13.072 -10.232 -0.926 517 1HG2 ILE 57 1HG2 ILE 57 -13.261 -13.536 0.850 518 2HG2 ILE 57 2HG2 ILE 57 -11.665 -12.936 1.324 519 3HG2 ILE 57 3HG2 ILE 57 -12.991 -12.880 2.473 520 1HD1 ILE 57 1HD1 ILE 57 -10.624 -11.902 -0.350 521 2HD1 ILE 57 2HD1 ILE 57 -10.890 -10.707 -1.630 522 3HD1 ILE 57 3HD1 ILE 57 -10.794 -10.184 0.067 523 H GLN 58 H GLN 58 -15.374 -10.143 3.273 524 HA GLN 58 HA GLN 58 -16.144 -12.723 4.399 525 1HB GLN 58 1HB GLN 58 -15.761 -10.000 5.398 526 2HB GLN 58 2HB GLN 58 -17.294 -10.642 5.962 527 1HG GLN 58 1HG GLN 58 -14.567 -11.962 6.276 528 2HG GLN 58 2HG GLN 58 -15.452 -11.080 7.526 529 1HE2 GLN 58 1HE2 GLN 58 -15.054 -14.225 5.972 530 2HE2 GLN 58 2HE2 GLN 58 -16.362 -14.936 6.921 531 H GLU 59 H GLU 59 -17.750 -10.538 2.241 532 HA GLU 59 HA GLU 59 -20.429 -11.409 3.101 533 1HB GLU 59 1HB GLU 59 -19.698 -9.717 0.686 534 2HB GLU 59 2HB GLU 59 -21.274 -9.909 1.462 535 1HG GLU 59 1HG GLU 59 -20.173 -8.962 3.597 536 2HG GLU 59 2HG GLU 59 -18.812 -8.498 2.577 537 H GLU 60 H GLU 60 -18.233 -11.974 0.368 538 HA GLU 60 HA GLU 60 -19.659 -14.551 -0.180 539 1HB GLU 60 1HB GLU 60 -19.298 -12.331 -2.222 540 2HB GLU 60 2HB GLU 60 -19.367 -14.025 -2.702 541 1HG GLU 60 1HG GLU 60 -21.572 -14.254 -1.530 542 2HG GLU 60 2HG GLU 60 -21.548 -12.509 -1.228 543 H GLY 61 H GLY 61 -16.765 -12.604 -0.912 544 1HA GLY 61 1HA GLY 61 -14.554 -13.531 -0.911 545 2HA GLY 61 2HA GLY 61 -15.196 -15.120 -1.284 546 H LEU 62 H LEU 62 -16.919 -13.941 -3.491 547 HA LEU 62 HA LEU 62 -15.374 -14.043 -5.831 548 1HB LEU 62 1HB LEU 62 -17.697 -14.123 -6.068 549 2HB LEU 62 2HB LEU 62 -17.963 -12.744 -5.013 550 HG LEU 62 HG LEU 62 -17.168 -11.202 -6.756 551 1HD1 LEU 62 1HD1 LEU 62 -17.143 -13.654 -8.586 552 2HD1 LEU 62 2HD1 LEU 62 -16.979 -11.961 -9.099 553 3HD1 LEU 62 3HD1 LEU 62 -15.713 -12.709 -8.126 554 1HD2 LEU 62 1HD2 LEU 62 -19.147 -11.329 -8.135 555 2HD2 LEU 62 2HD2 LEU 62 -19.392 -13.038 -7.703 556 3HD2 LEU 62 3HD2 LEU 62 -19.563 -11.772 -6.472 557 H SER 63 H SER 63 -15.929 -11.245 -3.723 558 HA SER 63 HA SER 63 -14.610 -9.228 -5.092 559 1HB SER 63 1HB SER 63 -14.886 -9.803 -2.154 560 2HB SER 63 2HB SER 63 -14.111 -8.328 -2.770 561 HG SER 63 HG SER 63 -16.022 -7.800 -3.817 562 H VAL 64 H VAL 64 -12.979 -12.064 -3.815 563 HA VAL 64 HA VAL 64 -10.291 -11.074 -3.803 564 HB VAL 64 HB VAL 64 -11.528 -13.731 -4.616 565 1HG1 VAL 64 1HG1 VAL 64 -8.699 -12.827 -5.069 566 2HG1 VAL 64 2HG1 VAL 64 -9.021 -14.522 -4.626 567 3HG1 VAL 64 3HG1 VAL 64 -9.741 -13.825 -6.076 568 1HG2 VAL 64 1HG2 VAL 64 -11.376 -13.321 -2.225 569 2HG2 VAL 64 2HG2 VAL 64 -10.183 -14.535 -2.662 570 3HG2 VAL 64 3HG2 VAL 64 -9.667 -12.864 -2.357 571 H SER 65 H SER 65 -12.190 -12.329 -6.608 572 HA SER 65 HA SER 65 -10.106 -11.190 -8.384 573 1HB SER 65 1HB SER 65 -11.582 -13.449 -8.627 574 2HB SER 65 2HB SER 65 -12.604 -12.342 -9.563 575 HG SER 65 HG SER 65 -10.766 -11.823 -10.798 576 H GLU 66 H GLU 66 -13.526 -10.636 -7.509 577 HA GLU 66 HA GLU 66 -14.046 -8.729 -9.547 578 1HB GLU 66 1HB GLU 66 -15.665 -10.061 -7.974 579 2HB GLU 66 2HB GLU 66 -15.473 -8.696 -6.881 580 1HG GLU 66 1HG GLU 66 -17.300 -7.974 -8.022 581 2HG GLU 66 2HG GLU 66 -16.055 -7.269 -9.052 582 H ALA 67 H ALA 67 -13.145 -8.126 -6.043 583 HA ALA 67 HA ALA 67 -13.366 -5.274 -6.513 584 1HB ALA 67 1HB ALA 67 -12.230 -6.636 -4.084 585 2HB ALA 67 2HB ALA 67 -12.857 -4.982 -4.238 586 3HB ALA 67 3HB ALA 67 -13.966 -6.352 -4.363 587 H ILE 68 H ILE 68 -10.750 -7.643 -6.641 588 HA ILE 68 HA ILE 68 -8.604 -5.703 -6.930 589 HB ILE 68 HB ILE 68 -8.817 -8.604 -7.809 590 1HG1 ILE 68 1HG1 ILE 68 -7.228 -7.129 -5.663 591 2HG1 ILE 68 2HG1 ILE 68 -8.672 -8.075 -5.353 592 1HG2 ILE 68 1HG2 ILE 68 -7.318 -7.482 -9.402 593 2HG2 ILE 68 2HG2 ILE 68 -6.471 -6.656 -8.075 594 3HG2 ILE 68 3HG2 ILE 68 -6.348 -8.413 -8.287 595 1HD1 ILE 68 1HD1 ILE 68 -5.963 -9.154 -6.215 596 2HD1 ILE 68 2HD1 ILE 68 -6.835 -9.424 -4.705 597 3HD1 ILE 68 3HD1 ILE 68 -7.428 -10.127 -6.216 598 H ALA 69 H ALA 69 -10.604 -7.506 -9.418 599 HA ALA 69 HA ALA 69 -9.562 -6.064 -11.618 600 1HB ALA 69 1HB ALA 69 -12.327 -7.288 -11.250 601 2HB ALA 69 2HB ALA 69 -11.587 -6.814 -12.796 602 3HB ALA 69 3HB ALA 69 -10.869 -8.122 -11.836 603 H GLN 70 H GLN 70 -12.355 -5.244 -9.510 604 HA GLN 70 HA GLN 70 -13.081 -2.764 -10.657 605 1HB GLN 70 1HB GLN 70 -13.155 -3.714 -7.805 606 2HB GLN 70 2HB GLN 70 -13.749 -2.135 -8.294 607 1HG GLN 70 1HG GLN 70 -15.425 -3.055 -9.731 608 2HG GLN 70 2HG GLN 70 -14.773 -4.685 -9.594 609 1HE2 GLN 70 1HE2 GLN 70 -16.911 -5.469 -8.836 610 2HE2 GLN 70 2HE2 GLN 70 -17.386 -5.037 -7.189 611 H VAL 71 H VAL 71 -10.784 -3.111 -7.800 612 HA VAL 71 HA VAL 71 -10.018 -0.379 -8.053 613 HB VAL 71 HB VAL 71 -9.807 -1.987 -6.044 614 1HG1 VAL 71 1HG1 VAL 71 -7.656 -2.918 -5.587 615 2HG1 VAL 71 2HG1 VAL 71 -8.175 -3.556 -7.149 616 3HG1 VAL 71 3HG1 VAL 71 -6.959 -2.263 -7.082 617 1HG2 VAL 71 1HG2 VAL 71 -9.342 0.378 -5.926 618 2HG2 VAL 71 2HG2 VAL 71 -8.092 -0.512 -5.048 619 3HG2 VAL 71 3HG2 VAL 71 -7.735 0.152 -6.646 620 H LYS 72 H LYS 72 -8.903 -3.085 -9.903 621 HA LYS 72 HA LYS 72 -6.598 -1.669 -11.033 622 1HB LYS 72 1HB LYS 72 -8.154 -4.137 -11.899 623 2HB LYS 72 2HB LYS 72 -6.781 -3.525 -12.792 624 1HG LYS 72 1HG LYS 72 -6.226 -3.971 -9.882 625 2HG LYS 72 2HG LYS 72 -6.696 -5.413 -10.783 626 1HD LYS 72 1HD LYS 72 -4.326 -5.312 -10.884 627 2HD LYS 72 2HD LYS 72 -4.946 -4.916 -12.487 628 1HE LYS 72 1HE LYS 72 -4.784 -2.406 -11.344 629 2HE LYS 72 2HE LYS 72 -3.485 -3.234 -10.483 630 1HZ LYS 72 1HZ LYS 72 -3.781 -2.960 -13.415 631 2HZ LYS 72 2HZ LYS 72 -2.639 -2.240 -12.482 632 3HZ LYS 72 3HZ LYS 72 -2.613 -3.872 -12.703 633 H THR 73 H THR 73 -10.029 -1.983 -12.011 634 HA THR 73 HA THR 73 -9.470 -0.387 -14.449 635 HB THR 73 HB THR 73 -11.046 -2.285 -14.561 636 HG1 THR 73 HG1 THR 73 -11.086 -0.435 -15.966 637 1HG2 THR 73 1HG2 THR 73 -13.437 -1.853 -13.929 638 2HG2 THR 73 2HG2 THR 73 -12.375 -2.199 -12.574 639 3HG2 THR 73 3HG2 THR 73 -12.896 -0.534 -12.886 640 H GLU 74 H GLU 74 -10.849 0.129 -11.265 641 HA GLU 74 HA GLU 74 -11.801 2.815 -11.623 642 1HB GLU 74 1HB GLU 74 -12.634 1.349 -9.886 643 2HB GLU 74 2HB GLU 74 -11.015 1.156 -9.208 644 1HG GLU 74 1HG GLU 74 -10.960 3.484 -8.497 645 2HG GLU 74 2HG GLU 74 -12.493 3.806 -9.320 646 HA PRO 75 HA PRO 75 -7.505 4.386 -11.438 647 1HB PRO 75 1HB PRO 75 -8.014 7.013 -12.042 648 2HB PRO 75 2HB PRO 75 -7.904 5.716 -13.271 649 1HG PRO 75 1HG PRO 75 -10.389 6.935 -12.053 650 2HG PRO 75 2HG PRO 75 -10.072 6.518 -13.765 651 1HD PRO 75 1HD PRO 75 -11.491 4.917 -12.023 652 2HD PRO 75 2HD PRO 75 -10.558 4.269 -13.405 653 HA PRO 76 HA PRO 76 -8.348 5.824 -7.185 654 1HB PRO 76 1HB PRO 76 -5.825 5.848 -6.164 655 2HB PRO 76 2HB PRO 76 -6.689 4.342 -6.575 656 1HG PRO 76 1HG PRO 76 -4.683 5.840 -8.293 657 2HG PRO 76 2HG PRO 76 -4.684 4.098 -7.857 658 1HD PRO 76 1HD PRO 76 -5.733 5.006 -10.209 659 2HD PRO 76 2HD PRO 76 -6.468 3.633 -9.326 660 H ARG 77 H ARG 77 -8.703 7.684 -9.059 661 HA ARG 77 HA ARG 77 -8.172 10.117 -7.643 662 1HB ARG 77 1HB ARG 77 -6.489 9.577 -10.007 663 2HB ARG 77 2HB ARG 77 -7.548 10.954 -10.292 664 1HG ARG 77 1HG ARG 77 -6.772 11.748 -7.906 665 2HG ARG 77 2HG ARG 77 -5.416 10.646 -8.168 666 1HD ARG 77 1HD ARG 77 -6.285 12.873 -10.071 667 2HD ARG 77 2HD ARG 77 -5.062 13.070 -8.808 668 HE ARG 77 HE ARG 77 -4.268 10.867 -10.369 669 1HH1 ARG 77 1HH1 ARG 77 -4.711 14.287 -10.852 670 2HH1 ARG 77 2HH1 ARG 77 -3.403 14.447 -11.995 671 1HH2 ARG 77 1HH2 ARG 77 -2.563 11.076 -11.850 672 2HH2 ARG 77 2HH2 ARG 77 -2.217 12.629 -12.550 673 H GLU 78 H GLU 78 -10.111 10.917 -7.536 674 HA GLU 78 HA GLU 78 -12.011 10.951 -9.817 675 1HB GLU 78 1HB GLU 78 -12.420 10.600 -7.067 676 2HB GLU 78 2HB GLU 78 -12.728 12.313 -7.265 677 1HG GLU 78 1HG GLU 78 -14.045 10.094 -8.906 678 2HG GLU 78 2HG GLU 78 -14.707 10.733 -7.414 Start of MODEL 11 1 1H GLY -2 1H GLY -2 5.812 18.583 4.448 2 2H GLY -2 2H GLY -2 5.575 17.653 3.103 3 3H GLY -2 3H GLY -2 6.964 17.502 3.949 4 1HA GLY -2 1HA GLY -2 5.697 16.715 5.886 5 2HA GLY -2 2HA GLY -2 4.275 16.680 4.816 6 H SER -1 H SER -1 4.536 14.232 5.603 7 HA SER -1 HA SER -1 6.021 12.721 3.576 8 1HB SER -1 1HB SER -1 7.633 13.256 5.449 9 2HB SER -1 2HB SER -1 6.595 12.301 6.530 10 HG SER -1 HG SER -1 8.320 11.076 5.575 11 H HIS 0 H HIS 0 5.895 10.299 4.618 12 HA HIS 0 HA HIS 0 3.138 9.547 5.398 13 1HB HIS 0 1HB HIS 0 4.543 8.640 2.844 14 2HB HIS 0 2HB HIS 0 3.187 7.766 3.531 15 HD1 HIS 0 HD1 HIS 0 1.398 10.487 4.171 16 HD2 HIS 0 HD2 HIS 0 3.059 8.903 0.632 17 HE1 HIS 0 HE1 HIS 0 -0.317 10.907 2.241 18 HE2 HIS 0 HE2 HIS 0 0.711 9.827 0.170 19 H MET 1 H MET 1 3.427 6.782 5.114 20 HA MET 1 HA MET 1 5.708 5.948 6.781 21 1HB MET 1 1HB MET 1 3.158 6.605 7.867 22 2HB MET 1 2HB MET 1 3.149 4.851 7.757 23 1HG MET 1 1HG MET 1 5.352 6.504 9.061 24 2HG MET 1 2HG MET 1 3.969 5.824 9.915 25 1HE MET 1 1HE MET 1 6.600 3.518 11.412 26 2HE MET 1 2HE MET 1 6.673 5.274 11.132 27 3HE MET 1 3HE MET 1 5.158 4.520 11.681 28 H THR 2 H THR 2 5.681 3.450 6.980 29 HA THR 2 HA THR 2 4.517 2.085 4.602 30 HB THR 2 HB THR 2 6.836 1.088 4.271 31 HG1 THR 2 HG1 THR 2 8.546 2.430 4.985 32 1HG2 THR 2 1HG2 THR 2 6.621 4.077 3.734 33 2HG2 THR 2 2HG2 THR 2 7.681 2.923 2.903 34 3HG2 THR 2 3HG2 THR 2 5.923 2.794 2.720 35 H LEU 3 H LEU 3 4.000 -0.038 4.924 36 HA LEU 3 HA LEU 3 5.000 -1.438 7.358 37 1HB LEU 3 1HB LEU 3 2.123 -0.863 6.575 38 2HB LEU 3 2HB LEU 3 2.503 -2.329 7.430 39 HG LEU 3 HG LEU 3 1.723 -0.864 9.010 40 1HD1 LEU 3 1HD1 LEU 3 4.732 -0.753 9.423 41 2HD1 LEU 3 2HD1 LEU 3 3.465 -0.731 10.655 42 3HD1 LEU 3 3HD1 LEU 3 3.727 -2.198 9.697 43 1HD2 LEU 3 1HD2 LEU 3 2.289 1.318 9.511 44 2HD2 LEU 3 2HD2 LEU 3 3.764 1.298 8.557 45 3HD2 LEU 3 3HD2 LEU 3 2.184 1.297 7.740 46 H ARG 4 H ARG 4 4.205 -3.794 7.332 47 HA ARG 4 HA ARG 4 4.957 -5.012 4.691 48 1HB ARG 4 1HB ARG 4 5.381 -5.870 7.584 49 2HB ARG 4 2HB ARG 4 5.663 -6.949 6.215 50 1HG ARG 4 1HG ARG 4 7.401 -5.572 5.324 51 2HG ARG 4 2HG ARG 4 7.077 -4.259 6.460 52 1HD ARG 4 1HD ARG 4 7.666 -6.944 7.665 53 2HD ARG 4 2HD ARG 4 9.003 -6.150 6.820 54 HE ARG 4 HE ARG 4 8.163 -4.118 8.353 55 1HH1 ARG 4 1HH1 ARG 4 8.904 -7.402 9.305 56 2HH1 ARG 4 2HH1 ARG 4 9.521 -6.924 10.865 57 1HH2 ARG 4 1HH2 ARG 4 8.988 -3.544 10.345 58 2HH2 ARG 4 2HH2 ARG 4 9.561 -4.770 11.427 59 H ILE 5 H ILE 5 4.036 -7.206 4.243 60 HA ILE 5 HA ILE 5 1.234 -7.191 4.369 61 HB ILE 5 HB ILE 5 2.977 -8.590 2.891 62 1HG1 ILE 5 1HG1 ILE 5 0.630 -7.998 2.391 63 2HG1 ILE 5 2HG1 ILE 5 1.165 -9.543 1.756 64 1HG2 ILE 5 1HG2 ILE 5 3.596 -10.257 4.539 65 2HG2 ILE 5 2HG2 ILE 5 1.897 -10.785 4.676 66 3HG2 ILE 5 3HG2 ILE 5 2.769 -10.971 3.148 67 1HD1 ILE 5 1HD1 ILE 5 -0.183 -10.779 3.251 68 2HD1 ILE 5 2HD1 ILE 5 -0.495 -9.374 4.287 69 3HD1 ILE 5 3HD1 ILE 5 -1.171 -9.410 2.676 70 H ARG 6 H ARG 6 3.496 -8.769 6.541 71 HA ARG 6 HA ARG 6 1.747 -10.209 8.239 72 1HB ARG 6 1HB ARG 6 4.227 -8.554 8.880 73 2HB ARG 6 2HB ARG 6 3.465 -9.646 10.030 74 1HG ARG 6 1HG ARG 6 4.557 -10.578 7.328 75 2HG ARG 6 2HG ARG 6 5.499 -10.531 8.813 76 1HD ARG 6 1HD ARG 6 3.736 -12.025 9.895 77 2HD ARG 6 2HD ARG 6 2.985 -12.180 8.307 78 HE ARG 6 HE ARG 6 4.550 -13.734 7.749 79 1HH1 ARG 6 1HH1 ARG 6 5.883 -12.010 10.475 80 2HH1 ARG 6 2HH1 ARG 6 7.267 -13.062 10.624 81 1HH2 ARG 6 1HH2 ARG 6 6.354 -15.071 7.956 82 2HH2 ARG 6 2HH2 ARG 6 7.515 -14.754 9.205 83 H THR 7 H THR 7 2.178 -6.694 8.014 84 HA THR 7 HA THR 7 0.490 -6.184 10.380 85 HB THR 7 HB THR 7 1.773 -4.241 8.437 86 HG1 THR 7 HG1 THR 7 2.888 -5.760 10.108 87 1HG2 THR 7 1HG2 THR 7 -0.004 -3.053 9.523 88 2HG2 THR 7 2HG2 THR 7 0.306 -3.857 11.081 89 3HG2 THR 7 3HG2 THR 7 1.454 -2.670 10.451 90 H ILE 8 H ILE 8 0.089 -6.509 6.909 91 HA ILE 8 HA ILE 8 -2.573 -5.256 6.893 92 HB ILE 8 HB ILE 8 -1.372 -7.191 4.865 93 1HG1 ILE 8 1HG1 ILE 8 -1.250 -4.168 5.098 94 2HG1 ILE 8 2HG1 ILE 8 0.086 -5.289 4.939 95 1HG2 ILE 8 1HG2 ILE 8 -3.114 -6.410 3.396 96 2HG2 ILE 8 2HG2 ILE 8 -3.893 -6.958 4.869 97 3HG2 ILE 8 3HG2 ILE 8 -3.682 -5.218 4.587 98 1HD1 ILE 8 1HD1 ILE 8 -0.626 -5.806 2.601 99 2HD1 ILE 8 2HD1 ILE 8 -1.904 -4.567 2.749 100 3HD1 ILE 8 3HD1 ILE 8 -0.217 -4.098 2.872 101 H ALA 9 H ALA 9 -1.271 -8.600 6.870 102 HA ALA 9 HA ALA 9 -3.724 -9.965 7.072 103 1HB ALA 9 1HB ALA 9 -0.966 -10.758 8.105 104 2HB ALA 9 2HB ALA 9 -2.332 -11.844 7.792 105 3HB ALA 9 3HB ALA 9 -1.566 -10.975 6.444 106 H ARG 10 H ARG 10 -1.677 -8.700 9.733 107 HA ARG 10 HA ARG 10 -3.027 -9.864 11.898 108 1HB ARG 10 1HB ARG 10 -1.895 -8.405 13.299 109 2HB ARG 10 2HB ARG 10 -0.855 -8.510 11.897 110 1HG ARG 10 1HG ARG 10 -0.831 -6.235 12.006 111 2HG ARG 10 2HG ARG 10 -2.398 -6.338 11.209 112 1HD ARG 10 1HD ARG 10 -2.788 -4.884 12.967 113 2HD ARG 10 2HD ARG 10 -3.386 -6.416 13.622 114 HE ARG 10 HE ARG 10 -0.642 -6.153 14.307 115 1HH1 ARG 10 1HH1 ARG 10 -3.689 -4.707 15.171 116 2HH1 ARG 10 2HH1 ARG 10 -3.117 -4.083 16.696 117 1HH2 ARG 10 1HH2 ARG 10 0.096 -5.344 16.272 118 2HH2 ARG 10 2HH2 ARG 10 -0.989 -4.462 17.301 119 H MET 11 H MET 11 -4.468 -7.568 9.780 120 HA MET 11 HA MET 11 -6.343 -6.259 11.471 121 1HB MET 11 1HB MET 11 -6.634 -7.379 8.652 122 2HB MET 11 2HB MET 11 -7.877 -6.418 9.454 123 1HG MET 11 1HG MET 11 -6.384 -4.494 9.604 124 2HG MET 11 2HG MET 11 -5.070 -5.424 8.889 125 1HE MET 11 1HE MET 11 -4.474 -4.106 6.868 126 2HE MET 11 2HE MET 11 -5.618 -3.336 5.747 127 3HE MET 11 3HE MET 11 -5.507 -2.773 7.435 128 H THR 12 H THR 12 -6.358 -9.592 10.203 129 HA THR 12 HA THR 12 -8.400 -10.301 12.260 130 HB THR 12 HB THR 12 -9.845 -11.475 10.767 131 HG1 THR 12 HG1 THR 12 -9.404 -11.161 8.467 132 1HG2 THR 12 1HG2 THR 12 -9.353 -8.820 9.368 133 2HG2 THR 12 2HG2 THR 12 -10.837 -9.794 9.360 134 3HG2 THR 12 3HG2 THR 12 -10.301 -9.018 10.860 135 H GLY 13 H GLY 13 -5.591 -11.292 10.425 136 1HA GLY 13 1HA GLY 13 -4.372 -13.233 10.474 137 2HA GLY 13 2HA GLY 13 -5.475 -13.928 11.668 138 H ILE 14 H ILE 14 -7.899 -13.938 10.403 139 HA ILE 14 HA ILE 14 -7.763 -16.230 8.817 140 HB ILE 14 HB ILE 14 -9.961 -16.348 8.850 141 1HG1 ILE 14 1HG1 ILE 14 -11.584 -14.328 8.682 142 2HG1 ILE 14 2HG1 ILE 14 -10.238 -13.462 7.966 143 1HG2 ILE 14 1HG2 ILE 14 -9.886 -13.938 10.685 144 2HG2 ILE 14 2HG2 ILE 14 -11.025 -15.289 10.707 145 3HG2 ILE 14 3HG2 ILE 14 -9.337 -15.573 11.134 146 1HD1 ILE 14 1HD1 ILE 14 -10.251 -14.975 6.053 147 2HD1 ILE 14 2HD1 ILE 14 -11.230 -16.172 6.932 148 3HD1 ILE 14 3HD1 ILE 14 -11.948 -14.648 6.413 149 H ARG 15 H ARG 15 -7.684 -12.905 7.697 150 HA ARG 15 HA ARG 15 -7.901 -13.632 4.865 151 1HB ARG 15 1HB ARG 15 -6.858 -11.049 6.088 152 2HB ARG 15 2HB ARG 15 -7.276 -11.287 4.396 153 1HG ARG 15 1HG ARG 15 -9.210 -11.437 6.718 154 2HG ARG 15 2HG ARG 15 -8.994 -10.045 5.692 155 1HD ARG 15 1HD ARG 15 -10.328 -10.926 4.022 156 2HD ARG 15 2HD ARG 15 -9.687 -12.546 4.235 157 HE ARG 15 HE ARG 15 -11.417 -13.079 5.587 158 1HH1 ARG 15 1HH1 ARG 15 -11.695 -9.643 5.384 159 2HH1 ARG 15 2HH1 ARG 15 -12.654 -9.483 6.822 160 1HH2 ARG 15 1HH2 ARG 15 -12.880 -12.906 7.275 161 2HH2 ARG 15 2HH2 ARG 15 -13.423 -11.337 7.775 162 H GLU 16 H GLU 16 -5.212 -14.005 7.055 163 HA GLU 16 HA GLU 16 -3.099 -13.220 5.325 164 1HB GLU 16 1HB GLU 16 -2.951 -14.019 7.806 165 2HB GLU 16 2HB GLU 16 -2.906 -15.648 7.127 166 1HG GLU 16 1HG GLU 16 -1.042 -14.499 5.535 167 2HG GLU 16 2HG GLU 16 -0.921 -13.369 6.849 168 H ALA 17 H ALA 17 -4.792 -16.346 5.574 169 HA ALA 17 HA ALA 17 -3.415 -17.768 3.559 170 1HB ALA 17 1HB ALA 17 -4.944 -18.802 5.172 171 2HB ALA 17 2HB ALA 17 -6.326 -17.934 4.465 172 3HB ALA 17 3HB ALA 17 -5.466 -19.169 3.517 173 H THR 18 H THR 18 -6.118 -15.434 3.227 174 HA THR 18 HA THR 18 -6.416 -15.995 0.367 175 HB THR 18 HB THR 18 -8.209 -15.029 2.037 176 HG1 THR 18 HG1 THR 18 -9.319 -14.481 0.247 177 1HG2 THR 18 1HG2 THR 18 -8.746 -12.654 1.482 178 2HG2 THR 18 2HG2 THR 18 -7.348 -12.806 2.532 179 3HG2 THR 18 3HG2 THR 18 -7.116 -12.459 0.820 180 H LEU 19 H LEU 19 -4.855 -13.432 2.310 181 HA LEU 19 HA LEU 19 -3.890 -11.847 0.152 182 1HB LEU 19 1HB LEU 19 -2.753 -12.358 2.934 183 2HB LEU 19 2HB LEU 19 -2.230 -11.080 1.846 184 HG LEU 19 HG LEU 19 -5.134 -11.242 2.723 185 1HD1 LEU 19 1HD1 LEU 19 -4.243 -11.113 4.845 186 2HD1 LEU 19 2HD1 LEU 19 -2.764 -10.303 4.323 187 3HD1 LEU 19 3HD1 LEU 19 -4.283 -9.397 4.430 188 1HD2 LEU 19 1HD2 LEU 19 -3.419 -8.872 1.942 189 2HD2 LEU 19 2HD2 LEU 19 -4.523 -9.742 0.850 190 3HD2 LEU 19 3HD2 LEU 19 -5.170 -8.923 2.270 191 H ARG 20 H ARG 20 -2.180 -14.430 1.973 192 HA ARG 20 HA ARG 20 0.206 -14.383 0.307 193 1HB ARG 20 1HB ARG 20 -0.871 -16.483 2.237 194 2HB ARG 20 2HB ARG 20 0.733 -16.519 1.483 195 1HG ARG 20 1HG ARG 20 1.334 -14.382 2.557 196 2HG ARG 20 2HG ARG 20 -0.270 -14.259 3.271 197 1HD ARG 20 1HD ARG 20 1.089 -15.081 5.010 198 2HD ARG 20 2HD ARG 20 0.150 -16.462 4.459 199 HE ARG 20 HE ARG 20 2.101 -17.498 3.794 200 1HH1 ARG 20 1HH1 ARG 20 2.832 -14.154 4.345 201 2HH1 ARG 20 2HH1 ARG 20 4.560 -14.338 4.147 202 1HH2 ARG 20 1HH2 ARG 20 4.329 -17.765 3.616 203 2HH2 ARG 20 2HH2 ARG 20 5.387 -16.399 3.798 204 H ALA 21 H ALA 21 -2.881 -16.171 0.047 205 HA ALA 21 HA ALA 21 -2.008 -17.705 -2.244 206 1HB ALA 21 1HB ALA 21 -4.057 -18.306 -1.066 207 2HB ALA 21 2HB ALA 21 -4.799 -16.748 -1.482 208 3HB ALA 21 3HB ALA 21 -4.404 -17.912 -2.759 209 H TRP 22 H TRP 22 -3.792 -14.515 -2.039 210 HA TRP 22 HA TRP 22 -3.863 -14.005 -4.781 211 1HB TRP 22 1HB TRP 22 -3.504 -11.909 -2.653 212 2HB TRP 22 2HB TRP 22 -4.123 -11.698 -4.294 213 HD1 TRP 22 HD1 TRP 22 -6.118 -14.448 -3.602 214 HE1 TRP 22 HE1 TRP 22 -8.252 -13.918 -2.265 215 HE3 TRP 22 HE3 TRP 22 -4.891 -9.823 -1.865 216 HZ2 TRP 22 HZ2 TRP 22 -9.415 -11.636 -0.908 217 HZ3 TRP 22 HZ3 TRP 22 -6.493 -8.504 -0.492 218 HH2 TRP 22 HH2 TRP 22 -8.747 -9.415 0.003 219 H GLU 23 H GLU 23 -1.148 -13.218 -2.580 220 HA GLU 23 HA GLU 23 0.644 -11.927 -4.304 221 1HB GLU 23 1HB GLU 23 1.320 -12.156 -2.122 222 2HB GLU 23 2HB GLU 23 0.855 -13.851 -2.018 223 1HG GLU 23 1HG GLU 23 2.813 -14.532 -3.313 224 2HG GLU 23 2HG GLU 23 3.286 -12.841 -3.527 225 H ARG 24 H ARG 24 -0.243 -15.340 -4.379 226 HA ARG 24 HA ARG 24 1.474 -15.890 -6.768 227 1HB ARG 24 1HB ARG 24 0.141 -17.555 -4.601 228 2HB ARG 24 2HB ARG 24 0.591 -18.313 -6.118 229 1HG ARG 24 1HG ARG 24 2.656 -16.630 -4.674 230 2HG ARG 24 2HG ARG 24 2.277 -18.235 -4.048 231 1HD ARG 24 1HD ARG 24 3.278 -19.326 -5.753 232 2HD ARG 24 2HD ARG 24 2.652 -18.213 -6.981 233 HE ARG 24 HE ARG 24 4.668 -16.877 -5.487 234 1HH1 ARG 24 1HH1 ARG 24 4.370 -19.411 -7.865 235 2HH1 ARG 24 2HH1 ARG 24 5.897 -19.066 -8.633 236 1HH2 ARG 24 1HH2 ARG 24 6.637 -16.425 -6.498 237 2HH2 ARG 24 2HH2 ARG 24 7.159 -17.391 -7.846 238 H ARG 25 H ARG 25 -1.764 -15.306 -5.908 239 HA ARG 25 HA ARG 25 -2.936 -16.668 -8.261 240 1HB ARG 25 1HB ARG 25 -3.741 -16.085 -5.563 241 2HB ARG 25 2HB ARG 25 -4.877 -15.289 -6.576 242 1HG ARG 25 1HG ARG 25 -4.244 -18.169 -7.216 243 2HG ARG 25 2HG ARG 25 -5.060 -17.837 -5.689 244 1HD ARG 25 1HD ARG 25 -6.713 -18.281 -7.442 245 2HD ARG 25 2HD ARG 25 -6.860 -16.645 -6.807 246 HE ARG 25 HE ARG 25 -5.823 -15.752 -8.794 247 1HH1 ARG 25 1HH1 ARG 25 -6.376 -19.187 -9.193 248 2HH1 ARG 25 2HH1 ARG 25 -5.965 -19.134 -10.887 249 1HH2 ARG 25 1HH2 ARG 25 -5.116 -15.766 -10.733 250 2HH2 ARG 25 2HH2 ARG 25 -5.399 -17.112 -11.832 251 H TYR 26 H TYR 26 -2.293 -13.397 -7.311 252 HA TYR 26 HA TYR 26 -3.158 -12.382 -9.973 253 1HB TYR 26 1HB TYR 26 -4.101 -11.036 -7.410 254 2HB TYR 26 2HB TYR 26 -4.458 -10.547 -9.058 255 HD1 TYR 26 HD1 TYR 26 -6.025 -11.933 -10.474 256 HD2 TYR 26 HD2 TYR 26 -5.336 -12.733 -6.295 257 HE1 TYR 26 HE1 TYR 26 -8.067 -13.371 -10.409 258 HE2 TYR 26 HE2 TYR 26 -7.287 -14.236 -6.251 259 HH TYR 26 HH TYR 26 -9.019 -15.156 -7.471 260 H GLY 27 H GLY 27 -1.498 -11.740 -6.875 261 1HA GLY 27 1HA GLY 27 0.608 -10.653 -6.727 262 2HA GLY 27 2HA GLY 27 0.237 -9.684 -8.150 263 H PHE 28 H PHE 28 -2.610 -9.464 -6.526 264 HA PHE 28 HA PHE 28 -1.843 -6.970 -5.126 265 1HB PHE 28 1HB PHE 28 -3.697 -6.713 -6.584 266 2HB PHE 28 2HB PHE 28 -4.473 -8.163 -5.979 267 HD1 PHE 28 HD1 PHE 28 -3.879 -4.557 -5.319 268 HD2 PHE 28 HD2 PHE 28 -5.662 -8.187 -3.800 269 HE1 PHE 28 HE1 PHE 28 -5.329 -3.232 -3.839 270 HE2 PHE 28 HE2 PHE 28 -7.138 -6.843 -2.338 271 HZ PHE 28 HZ PHE 28 -6.997 -4.357 -2.375 272 HA PRO 29 HA PRO 29 -2.088 -5.763 -3.388 273 1HB PRO 29 1HB PRO 29 -0.992 -5.258 -0.981 274 2HB PRO 29 2HB PRO 29 -2.736 -5.310 -1.265 275 1HG PRO 29 1HG PRO 29 -0.965 -7.559 -0.190 276 2HG PRO 29 2HG PRO 29 -2.475 -6.949 0.537 277 1HD PRO 29 1HD PRO 29 -2.437 -9.135 -1.104 278 2HD PRO 29 2HD PRO 29 -3.799 -7.975 -1.127 279 H ARG 30 H ARG 30 -0.098 -4.961 -3.938 280 HA ARG 30 HA ARG 30 2.166 -6.933 -3.982 281 1HB ARG 30 1HB ARG 30 3.175 -5.393 -5.685 282 2HB ARG 30 2HB ARG 30 1.832 -6.387 -6.203 283 1HG ARG 30 1HG ARG 30 0.421 -4.636 -6.563 284 2HG ARG 30 2HG ARG 30 1.084 -3.627 -5.272 285 1HD ARG 30 1HD ARG 30 2.853 -2.845 -6.510 286 2HD ARG 30 2HD ARG 30 2.883 -4.224 -7.603 287 HE ARG 30 HE ARG 30 1.230 -1.821 -7.824 288 1HH1 ARG 30 1HH1 ARG 30 1.510 -5.131 -8.871 289 2HH1 ARG 30 2HH1 ARG 30 0.796 -4.867 -10.438 290 1HH2 ARG 30 1HH2 ARG 30 0.367 -1.449 -9.871 291 2HH2 ARG 30 2HH2 ARG 30 0.192 -2.765 -10.998 292 HA PRO 31 HA PRO 31 4.122 -3.925 -1.258 293 1HB PRO 31 1HB PRO 31 6.395 -5.237 -0.694 294 2HB PRO 31 2HB PRO 31 4.872 -5.689 0.015 295 1HG PRO 31 1HG PRO 31 6.306 -7.023 -2.269 296 2HG PRO 31 2HG PRO 31 5.387 -7.777 -0.929 297 1HD PRO 31 1HD PRO 31 4.414 -7.244 -3.524 298 2HD PRO 31 2HD PRO 31 3.389 -7.543 -2.098 299 H LEU 32 H LEU 32 5.158 -2.212 -2.044 300 HA LEU 32 HA LEU 32 6.485 -2.211 -4.676 301 1HB LEU 32 1HB LEU 32 6.919 0.229 -4.082 302 2HB LEU 32 2HB LEU 32 5.273 -0.245 -4.430 303 HG LEU 32 HG LEU 32 6.155 -0.151 -1.539 304 1HD1 LEU 32 1HD1 LEU 32 5.379 2.282 -3.190 305 2HD1 LEU 32 2HD1 LEU 32 5.532 2.226 -1.420 306 3HD1 LEU 32 3HD1 LEU 32 6.961 1.972 -2.431 307 1HD2 LEU 32 1HD2 LEU 32 3.821 0.558 -1.191 308 2HD2 LEU 32 2HD2 LEU 32 3.539 0.642 -2.940 309 3HD2 LEU 32 3HD2 LEU 32 3.798 -0.919 -2.153 310 H ARG 33 H ARG 33 8.662 -1.403 -4.937 311 HA ARG 33 HA ARG 33 10.522 -2.961 -3.468 312 1HB ARG 33 1HB ARG 33 10.997 -0.536 -5.261 313 2HB ARG 33 2HB ARG 33 12.281 -1.486 -4.531 314 1HG ARG 33 1HG ARG 33 11.055 -3.531 -5.749 315 2HG ARG 33 2HG ARG 33 10.458 -2.221 -6.795 316 1HD ARG 33 1HD ARG 33 12.920 -1.419 -6.885 317 2HD ARG 33 2HD ARG 33 13.340 -2.969 -6.134 318 HE ARG 33 HE ARG 33 11.762 -3.418 -8.485 319 1HH1 ARG 33 1HH1 ARG 33 14.993 -2.429 -7.584 320 2HH1 ARG 33 2HH1 ARG 33 15.691 -2.841 -9.124 321 1HH2 ARG 33 1HH2 ARG 33 12.693 -3.920 -10.496 322 2HH2 ARG 33 2HH2 ARG 33 14.395 -3.678 -10.731 323 H SER 34 H SER 34 12.310 -2.358 -2.270 324 HA SER 34 HA SER 34 12.127 0.009 -0.501 325 1HB SER 34 1HB SER 34 12.397 -2.902 0.328 326 2HB SER 34 2HB SER 34 12.645 -1.530 1.426 327 HG SER 34 HG SER 34 10.595 -2.589 1.469 328 H GLU 35 H GLU 35 14.217 -0.436 1.061 329 HA GLU 35 HA GLU 35 16.603 -0.288 -0.542 330 1HB GLU 35 1HB GLU 35 15.868 0.824 1.780 331 2HB GLU 35 2HB GLU 35 16.528 -0.660 2.450 332 1HG GLU 35 1HG GLU 35 18.528 0.136 0.652 333 2HG GLU 35 2HG GLU 35 17.875 1.684 1.172 334 H GLY 36 H GLY 36 18.439 -1.703 1.247 335 1HA GLY 36 1HA GLY 36 18.420 -4.239 -0.181 336 2HA GLY 36 2HA GLY 36 19.637 -3.659 0.961 337 H ASN 37 H ASN 37 18.738 -3.543 3.322 338 HA ASN 37 HA ASN 37 17.992 -6.287 4.031 339 1HB ASN 37 1HB ASN 37 18.317 -3.840 5.830 340 2HB ASN 37 2HB ASN 37 18.259 -5.528 6.341 341 1HD2 ASN 37 1HD2 ASN 37 20.402 -2.983 5.508 342 2HD2 ASN 37 2HD2 ASN 37 21.783 -4.060 5.285 343 H ASN 38 H ASN 38 16.324 -3.160 4.024 344 HA ASN 38 HA ASN 38 13.961 -4.084 5.437 345 1HB ASN 38 1HB ASN 38 14.778 -1.682 5.256 346 2HB ASN 38 2HB ASN 38 14.243 -1.676 3.576 347 1HD2 ASN 38 1HD2 ASN 38 11.618 -2.735 3.528 348 2HD2 ASN 38 2HD2 ASN 38 10.750 -1.807 4.748 349 H TYR 39 H TYR 39 12.782 -5.728 4.542 350 HA TYR 39 HA TYR 39 12.621 -6.428 1.855 351 1HB TYR 39 1HB TYR 39 10.237 -6.801 3.655 352 2HB TYR 39 2HB TYR 39 10.909 -7.909 2.468 353 HD1 TYR 39 HD1 TYR 39 13.682 -8.332 3.161 354 HD2 TYR 39 HD2 TYR 39 10.334 -7.662 5.797 355 HE1 TYR 39 HE1 TYR 39 14.941 -9.370 5.036 356 HE2 TYR 39 HE2 TYR 39 11.601 -8.696 7.670 357 HH TYR 39 HH TYR 39 13.630 -9.569 8.340 358 H ARG 40 H ARG 40 10.506 -6.465 0.533 359 HA ARG 40 HA ARG 40 9.781 -3.783 -0.290 360 1HB ARG 40 1HB ARG 40 8.476 -6.449 -0.939 361 2HB ARG 40 2HB ARG 40 8.177 -4.909 -1.743 362 1HG ARG 40 1HG ARG 40 9.722 -5.373 -3.219 363 2HG ARG 40 2HG ARG 40 10.938 -5.137 -1.963 364 1HD ARG 40 1HD ARG 40 10.713 -7.600 -1.386 365 2HD ARG 40 2HD ARG 40 9.546 -7.754 -2.699 366 HE ARG 40 HE ARG 40 11.246 -7.817 -4.220 367 1HH1 ARG 40 1HH1 ARG 40 12.650 -6.455 -1.316 368 2HH1 ARG 40 2HH1 ARG 40 14.284 -6.591 -1.887 369 1HH2 ARG 40 1HH2 ARG 40 13.361 -7.987 -4.938 370 2HH2 ARG 40 2HH2 ARG 40 14.658 -7.447 -3.918 371 H VAL 41 H VAL 41 7.858 -2.629 0.042 372 HA VAL 41 HA VAL 41 6.262 -3.440 2.460 373 HB VAL 41 HB VAL 41 6.309 -1.106 3.254 374 1HG1 VAL 41 1HG1 VAL 41 8.406 -1.178 4.335 375 2HG1 VAL 41 2HG1 VAL 41 7.866 -2.856 4.133 376 3HG1 VAL 41 3HG1 VAL 41 9.110 -2.185 3.056 377 1HG2 VAL 41 1HG2 VAL 41 6.806 0.139 1.243 378 2HG2 VAL 41 2HG2 VAL 41 8.073 0.444 2.444 379 3HG2 VAL 41 3HG2 VAL 41 8.392 -0.641 1.088 380 H TYR 42 H TYR 42 4.344 -2.016 2.823 381 HA TYR 42 HA TYR 42 2.885 -1.728 0.234 382 1HB TYR 42 1HB TYR 42 1.929 -2.484 3.017 383 2HB TYR 42 2HB TYR 42 0.886 -2.227 1.623 384 HD1 TYR 42 HD1 TYR 42 3.562 -4.396 3.004 385 HD2 TYR 42 HD2 TYR 42 0.692 -3.847 -0.149 386 HE1 TYR 42 HE1 TYR 42 3.956 -6.748 2.219 387 HE2 TYR 42 HE2 TYR 42 1.022 -6.209 -0.839 388 HH TYR 42 HH TYR 42 2.065 -8.163 -0.462 389 H SER 43 H SER 43 1.579 -0.066 -0.166 390 HA SER 43 HA SER 43 1.895 2.444 1.272 391 1HB SER 43 1HB SER 43 0.628 3.191 -0.830 392 2HB SER 43 2HB SER 43 2.230 2.495 -1.093 393 HG SER 43 HG SER 43 0.361 1.707 -2.507 394 H ARG 44 H ARG 44 -0.003 3.778 1.667 395 HA ARG 44 HA ARG 44 -2.004 2.375 3.175 396 1HB ARG 44 1HB ARG 44 -1.204 5.191 2.694 397 2HB ARG 44 2HB ARG 44 -2.931 5.001 2.907 398 1HG ARG 44 1HG ARG 44 -1.478 3.407 4.921 399 2HG ARG 44 2HG ARG 44 -0.935 5.076 4.940 400 1HD ARG 44 1HD ARG 44 -3.881 4.306 4.969 401 2HD ARG 44 2HD ARG 44 -2.917 4.476 6.448 402 HE ARG 44 HE ARG 44 -2.410 6.823 5.153 403 1HH1 ARG 44 1HH1 ARG 44 -5.477 5.352 5.926 404 2HH1 ARG 44 2HH1 ARG 44 -6.275 6.879 6.200 405 1HH2 ARG 44 1HH2 ARG 44 -3.442 8.763 5.526 406 2HH2 ARG 44 2HH2 ARG 44 -5.118 8.779 5.970 407 H GLU 45 H GLU 45 -2.131 3.759 -0.022 408 HA GLU 45 HA GLU 45 -4.841 3.270 -0.741 409 1HB GLU 45 1HB GLU 45 -3.733 2.799 -3.049 410 2HB GLU 45 2HB GLU 45 -3.664 4.425 -2.366 411 1HG GLU 45 1HG GLU 45 -1.402 4.371 -1.990 412 2HG GLU 45 2HG GLU 45 -1.411 2.667 -1.603 413 H GLU 46 H GLU 46 -2.015 0.944 -1.072 414 HA GLU 46 HA GLU 46 -3.688 -1.253 -1.811 415 1HB GLU 46 1HB GLU 46 -0.962 -1.160 -0.470 416 2HB GLU 46 2HB GLU 46 -1.765 -2.671 -0.873 417 1HG GLU 46 1HG GLU 46 -1.189 -0.543 -2.969 418 2HG GLU 46 2HG GLU 46 -0.032 -1.792 -2.521 419 H VAL 47 H VAL 47 -2.534 -0.238 1.448 420 HA VAL 47 HA VAL 47 -3.861 -2.289 2.914 421 HB VAL 47 HB VAL 47 -2.911 0.482 3.609 422 1HG1 VAL 47 1HG1 VAL 47 -3.407 0.034 6.015 423 2HG1 VAL 47 2HG1 VAL 47 -4.854 0.345 5.057 424 3HG1 VAL 47 3HG1 VAL 47 -4.440 -1.322 5.518 425 1HG2 VAL 47 1HG2 VAL 47 -1.375 -0.802 5.033 426 2HG2 VAL 47 2HG2 VAL 47 -2.258 -2.294 4.652 427 3HG2 VAL 47 3HG2 VAL 47 -1.338 -1.452 3.384 428 H GLU 48 H GLU 48 -5.239 0.981 2.102 429 HA GLU 48 HA GLU 48 -7.716 0.281 3.414 430 1HB GLU 48 1HB GLU 48 -8.550 2.345 2.842 431 2HB GLU 48 2HB GLU 48 -6.843 2.596 3.107 432 1HG GLU 48 1HG GLU 48 -7.128 3.890 1.250 433 2HG GLU 48 2HG GLU 48 -6.675 2.389 0.470 434 H ALA 49 H ALA 49 -6.722 0.173 -0.050 435 HA ALA 49 HA ALA 49 -9.144 -0.787 -1.101 436 1HB ALA 49 1HB ALA 49 -7.710 -1.766 -2.878 437 2HB ALA 49 2HB ALA 49 -7.249 -0.095 -2.486 438 3HB ALA 49 3HB ALA 49 -6.269 -1.451 -1.891 439 H VAL 50 H VAL 50 -6.356 -2.704 0.180 440 HA VAL 50 HA VAL 50 -7.554 -5.266 -0.007 441 HB VAL 50 HB VAL 50 -5.474 -4.207 1.941 442 1HG1 VAL 50 1HG1 VAL 50 -4.956 -6.694 2.228 443 2HG1 VAL 50 2HG1 VAL 50 -6.396 -6.123 3.071 444 3HG1 VAL 50 3HG1 VAL 50 -6.554 -7.031 1.543 445 1HG2 VAL 50 1HG2 VAL 50 -3.912 -5.243 0.567 446 2HG2 VAL 50 2HG2 VAL 50 -5.126 -6.193 -0.341 447 3HG2 VAL 50 3HG2 VAL 50 -4.970 -4.455 -0.602 448 H ARG 51 H ARG 51 -7.625 -2.987 2.824 449 HA ARG 51 HA ARG 51 -9.200 -4.650 4.512 450 1HB ARG 51 1HB ARG 51 -8.135 -2.485 5.197 451 2HB ARG 51 2HB ARG 51 -9.326 -1.622 4.225 452 1HG ARG 51 1HG ARG 51 -11.031 -3.095 5.755 453 2HG ARG 51 2HG ARG 51 -9.668 -3.071 6.855 454 1HD ARG 51 1HD ARG 51 -10.665 -0.494 5.577 455 2HD ARG 51 2HD ARG 51 -11.589 -1.253 6.879 456 HE ARG 51 HE ARG 51 -8.820 -0.989 7.619 457 1HH1 ARG 51 1HH1 ARG 51 -11.736 0.906 7.325 458 2HH1 ARG 51 2HH1 ARG 51 -11.380 1.924 8.693 459 1HH2 ARG 51 1HH2 ARG 51 -8.366 0.344 9.393 460 2HH2 ARG 51 2HH2 ARG 51 -9.475 1.609 9.820 461 H ARG 52 H ARG 52 -10.283 -2.320 2.032 462 HA ARG 52 HA ARG 52 -13.088 -2.798 2.252 463 1HB ARG 52 1HB ARG 52 -11.499 -1.052 0.869 464 2HB ARG 52 2HB ARG 52 -11.950 -2.128 -0.446 465 1HG ARG 52 1HG ARG 52 -14.324 -1.697 -0.014 466 2HG ARG 52 2HG ARG 52 -13.919 -0.769 1.452 467 1HD ARG 52 1HD ARG 52 -12.739 0.904 0.181 468 2HD ARG 52 2HD ARG 52 -12.894 -0.030 -1.317 469 HE ARG 52 HE ARG 52 -15.475 0.273 -0.740 470 1HH1 ARG 52 1HH1 ARG 52 -12.961 2.732 -0.708 471 2HH1 ARG 52 2HH1 ARG 52 -14.045 3.995 -1.206 472 1HH2 ARG 52 1HH2 ARG 52 -16.818 1.907 -1.421 473 2HH2 ARG 52 2HH2 ARG 52 -16.200 3.517 -1.610 474 H VAL 53 H VAL 53 -10.817 -4.185 -0.138 475 HA VAL 53 HA VAL 53 -12.518 -6.088 -1.347 476 HB VAL 53 HB VAL 53 -9.515 -6.235 -0.867 477 1HG1 VAL 53 1HG1 VAL 53 -10.242 -8.455 -1.380 478 2HG1 VAL 53 2HG1 VAL 53 -11.274 -7.898 -2.701 479 3HG1 VAL 53 3HG1 VAL 53 -9.504 -7.800 -2.828 480 1HG2 VAL 53 1HG2 VAL 53 -9.936 -5.719 -3.577 481 2HG2 VAL 53 2HG2 VAL 53 -11.183 -4.734 -2.793 482 3HG2 VAL 53 3HG2 VAL 53 -9.482 -4.540 -2.369 483 H ALA 54 H ALA 54 -10.319 -6.662 1.442 484 HA ALA 54 HA ALA 54 -11.012 -9.314 2.019 485 1HB ALA 54 1HB ALA 54 -9.066 -8.193 2.968 486 2HB ALA 54 2HB ALA 54 -10.105 -7.021 3.814 487 3HB ALA 54 3HB ALA 54 -10.120 -8.712 4.300 488 H ARG 55 H ARG 55 -12.693 -6.313 3.085 489 HA ARG 55 HA ARG 55 -14.591 -7.885 4.700 490 1HB ARG 55 1HB ARG 55 -13.742 -5.586 5.278 491 2HB ARG 55 2HB ARG 55 -14.721 -4.932 3.969 492 1HG ARG 55 1HG ARG 55 -16.095 -6.744 5.966 493 2HG ARG 55 2HG ARG 55 -15.532 -5.198 6.581 494 1HD ARG 55 1HD ARG 55 -17.334 -5.466 4.145 495 2HD ARG 55 2HD ARG 55 -17.915 -5.216 5.801 496 HE ARG 55 HE ARG 55 -16.046 -3.210 5.423 497 1HH1 ARG 55 1HH1 ARG 55 -19.035 -4.050 3.803 498 2HH1 ARG 55 2HH1 ARG 55 -19.410 -2.409 3.379 499 1HH2 ARG 55 1HH2 ARG 55 -16.539 -1.107 4.867 500 2HH2 ARG 55 2HH2 ARG 55 -17.996 -0.767 3.982 501 H LEU 56 H LEU 56 -14.561 -6.513 1.431 502 HA LEU 56 HA LEU 56 -17.267 -7.227 0.737 503 1HB LEU 56 1HB LEU 56 -14.758 -6.428 -0.658 504 2HB LEU 56 2HB LEU 56 -15.710 -7.575 -1.547 505 HG LEU 56 HG LEU 56 -16.191 -5.371 -2.286 506 1HD1 LEU 56 1HD1 LEU 56 -18.592 -5.391 -2.226 507 2HD1 LEU 56 2HD1 LEU 56 -18.031 -7.071 -2.259 508 3HD1 LEU 56 3HD1 LEU 56 -18.615 -6.358 -0.746 509 1HD2 LEU 56 1HD2 LEU 56 -15.674 -4.095 -0.269 510 2HD2 LEU 56 2HD2 LEU 56 -17.286 -3.686 -0.886 511 3HD2 LEU 56 3HD2 LEU 56 -17.126 -4.739 0.537 512 H ILE 57 H ILE 57 -14.210 -9.104 0.603 513 HA ILE 57 HA ILE 57 -15.213 -11.491 -0.492 514 HB ILE 57 HB ILE 57 -12.909 -10.831 1.299 515 1HG1 ILE 57 1HG1 ILE 57 -11.814 -12.422 -0.479 516 2HG1 ILE 57 2HG1 ILE 57 -13.343 -12.281 -1.343 517 1HG2 ILE 57 1HG2 ILE 57 -12.201 -13.164 1.600 518 2HG2 ILE 57 2HG2 ILE 57 -13.664 -12.819 2.507 519 3HG2 ILE 57 3HG2 ILE 57 -13.765 -13.731 0.978 520 1HD1 ILE 57 1HD1 ILE 57 -11.570 -10.694 -2.097 521 2HD1 ILE 57 2HD1 ILE 57 -13.019 -9.850 -1.518 522 3HD1 ILE 57 3HD1 ILE 57 -11.559 -9.987 -0.486 523 H GLN 58 H GLN 58 -15.694 -10.352 2.826 524 HA GLN 58 HA GLN 58 -16.855 -12.811 3.797 525 1HB GLN 58 1HB GLN 58 -16.626 -9.981 4.753 526 2HB GLN 58 2HB GLN 58 -17.956 -10.911 5.426 527 1HG GLN 58 1HG GLN 58 -15.066 -11.873 5.432 528 2HG GLN 58 2HG GLN 58 -15.820 -10.965 6.748 529 1HE2 GLN 58 1HE2 GLN 58 -15.652 -14.213 5.219 530 2HE2 GLN 58 2HE2 GLN 58 -16.701 -14.882 6.474 531 H GLU 59 H GLU 59 -18.193 -10.523 1.540 532 HA GLU 59 HA GLU 59 -20.956 -11.313 2.251 533 1HB GLU 59 1HB GLU 59 -20.024 -9.538 -0.033 534 2HB GLU 59 2HB GLU 59 -21.661 -9.733 0.609 535 1HG GLU 59 1HG GLU 59 -20.653 -8.930 2.880 536 2HG GLU 59 2HG GLU 59 -19.276 -8.382 1.924 537 H GLU 60 H GLU 60 -18.455 -12.463 0.195 538 HA GLU 60 HA GLU 60 -20.088 -14.637 -0.792 539 1HB GLU 60 1HB GLU 60 -20.840 -12.918 -2.430 540 2HB GLU 60 2HB GLU 60 -19.174 -12.572 -2.846 541 1HG GLU 60 1HG GLU 60 -19.438 -14.030 -4.518 542 2HG GLU 60 2HG GLU 60 -19.272 -15.308 -3.341 543 H GLY 61 H GLY 61 -17.270 -12.832 -1.997 544 1HA GLY 61 1HA GLY 61 -14.963 -13.836 -1.531 545 2HA GLY 61 2HA GLY 61 -15.647 -15.361 -2.086 546 H LEU 62 H LEU 62 -17.240 -14.000 -4.251 547 HA LEU 62 HA LEU 62 -15.576 -14.042 -6.504 548 1HB LEU 62 1HB LEU 62 -17.918 -14.100 -6.781 549 2HB LEU 62 2HB LEU 62 -18.162 -12.650 -5.813 550 HG LEU 62 HG LEU 62 -17.318 -11.221 -7.568 551 1HD1 LEU 62 1HD1 LEU 62 -15.712 -12.640 -8.778 552 2HD1 LEU 62 2HD1 LEU 62 -17.014 -13.755 -9.241 553 3HD1 LEU 62 3HD1 LEU 62 -16.976 -12.093 -9.874 554 1HD2 LEU 62 1HD2 LEU 62 -19.405 -13.175 -8.610 555 2HD2 LEU 62 2HD2 LEU 62 -19.715 -11.866 -7.447 556 3HD2 LEU 62 3HD2 LEU 62 -19.192 -11.468 -9.085 557 H SER 63 H SER 63 -16.245 -11.319 -4.370 558 HA SER 63 HA SER 63 -14.843 -9.252 -5.681 559 1HB SER 63 1HB SER 63 -15.526 -9.782 -2.801 560 2HB SER 63 2HB SER 63 -14.540 -8.384 -3.270 561 HG SER 63 HG SER 63 -16.910 -8.865 -4.710 562 H VAL 64 H VAL 64 -13.311 -12.099 -4.426 563 HA VAL 64 HA VAL 64 -10.650 -11.002 -4.143 564 HB VAL 64 HB VAL 64 -11.634 -13.686 -5.203 565 1HG1 VAL 64 1HG1 VAL 64 -8.808 -12.670 -4.704 566 2HG1 VAL 64 2HG1 VAL 64 -9.240 -14.394 -4.900 567 3HG1 VAL 64 3HG1 VAL 64 -9.500 -13.249 -6.219 568 1HG2 VAL 64 1HG2 VAL 64 -11.976 -13.405 -2.780 569 2HG2 VAL 64 2HG2 VAL 64 -10.675 -14.550 -3.074 570 3HG2 VAL 64 3HG2 VAL 64 -10.299 -12.881 -2.582 571 H SER 65 H SER 65 -12.113 -12.484 -7.106 572 HA SER 65 HA SER 65 -10.161 -11.138 -8.837 573 1HB SER 65 1HB SER 65 -12.672 -12.764 -9.310 574 2HB SER 65 2HB SER 65 -11.962 -11.808 -10.618 575 HG SER 65 HG SER 65 -10.363 -13.639 -9.133 576 H GLU 66 H GLU 66 -13.590 -10.550 -7.909 577 HA GLU 66 HA GLU 66 -13.967 -8.478 -9.802 578 1HB GLU 66 1HB GLU 66 -15.571 -9.752 -7.819 579 2HB GLU 66 2HB GLU 66 -15.634 -8.027 -7.469 580 1HG GLU 66 1HG GLU 66 -16.041 -7.783 -10.055 581 2HG GLU 66 2HG GLU 66 -16.483 -9.494 -9.971 582 H ALA 67 H ALA 67 -13.254 -8.003 -6.217 583 HA ALA 67 HA ALA 67 -13.311 -5.162 -6.650 584 1HB ALA 67 1HB ALA 67 -13.995 -6.268 -4.543 585 2HB ALA 67 2HB ALA 67 -12.279 -6.618 -4.224 586 3HB ALA 67 3HB ALA 67 -12.844 -4.939 -4.351 587 H ILE 68 H ILE 68 -10.750 -7.595 -6.781 588 HA ILE 68 HA ILE 68 -8.535 -5.729 -6.952 589 HB ILE 68 HB ILE 68 -8.848 -8.554 -8.041 590 1HG1 ILE 68 1HG1 ILE 68 -7.258 -7.395 -5.711 591 2HG1 ILE 68 2HG1 ILE 68 -8.790 -8.211 -5.518 592 1HG2 ILE 68 1HG2 ILE 68 -6.365 -6.761 -7.952 593 2HG2 ILE 68 2HG2 ILE 68 -6.380 -8.480 -8.410 594 3HG2 ILE 68 3HG2 ILE 68 -7.195 -7.314 -9.427 595 1HD1 ILE 68 1HD1 ILE 68 -7.747 -10.310 -6.505 596 2HD1 ILE 68 2HD1 ILE 68 -6.184 -9.495 -6.435 597 3HD1 ILE 68 3HD1 ILE 68 -7.086 -9.792 -4.945 598 H ALA 69 H ALA 69 -10.539 -7.325 -9.574 599 HA ALA 69 HA ALA 69 -9.351 -5.817 -11.672 600 1HB ALA 69 1HB ALA 69 -10.667 -7.855 -12.026 601 2HB ALA 69 2HB ALA 69 -12.141 -7.022 -11.483 602 3HB ALA 69 3HB ALA 69 -11.322 -6.504 -12.975 603 H GLN 70 H GLN 70 -12.219 -5.059 -9.664 604 HA GLN 70 HA GLN 70 -12.927 -2.557 -10.801 605 1HB GLN 70 1HB GLN 70 -13.134 -3.607 -7.988 606 2HB GLN 70 2HB GLN 70 -13.825 -2.070 -8.487 607 1HG GLN 70 1HG GLN 70 -15.397 -3.074 -9.953 608 2HG GLN 70 2HG GLN 70 -14.566 -4.626 -9.965 609 1HE2 GLN 70 1HE2 GLN 70 -16.931 -5.585 -9.338 610 2HE2 GLN 70 2HE2 GLN 70 -17.219 -5.418 -7.647 611 H VAL 71 H VAL 71 -10.741 -3.058 -7.882 612 HA VAL 71 HA VAL 71 -9.954 -0.310 -7.964 613 HB VAL 71 HB VAL 71 -9.895 -1.970 -6.006 614 1HG1 VAL 71 1HG1 VAL 71 -7.919 -3.100 -5.459 615 2HG1 VAL 71 2HG1 VAL 71 -8.170 -3.509 -7.158 616 3HG1 VAL 71 3HG1 VAL 71 -6.965 -2.282 -6.716 617 1HG2 VAL 71 1HG2 VAL 71 -9.308 0.402 -5.850 618 2HG2 VAL 71 2HG2 VAL 71 -8.265 -0.593 -4.828 619 3HG2 VAL 71 3HG2 VAL 71 -7.645 0.044 -6.361 620 H LYS 72 H LYS 72 -8.777 -2.945 -9.887 621 HA LYS 72 HA LYS 72 -6.407 -1.490 -10.845 622 1HB LYS 72 1HB LYS 72 -7.968 -3.817 -12.037 623 2HB LYS 72 2HB LYS 72 -6.494 -3.175 -12.724 624 1HG LYS 72 1HG LYS 72 -6.250 -3.980 -9.851 625 2HG LYS 72 2HG LYS 72 -6.683 -5.276 -10.959 626 1HD LYS 72 1HD LYS 72 -4.332 -5.337 -10.834 627 2HD LYS 72 2HD LYS 72 -4.726 -4.663 -12.409 628 1HE LYS 72 1HE LYS 72 -2.920 -3.373 -11.535 629 2HE LYS 72 2HE LYS 72 -4.360 -2.350 -11.448 630 1HZ LYS 72 1HZ LYS 72 -3.230 -3.899 -9.179 631 2HZ LYS 72 2HZ LYS 72 -3.072 -2.273 -9.381 632 3HZ LYS 72 3HZ LYS 72 -4.549 -2.927 -9.100 633 H THR 73 H THR 73 -9.832 -1.620 -11.885 634 HA THR 73 HA THR 73 -9.149 0.151 -14.182 635 HB THR 73 HB THR 73 -10.657 -1.760 -14.604 636 HG1 THR 73 HG1 THR 73 -11.395 0.926 -14.957 637 1HG2 THR 73 1HG2 THR 73 -13.062 -1.509 -14.071 638 2HG2 THR 73 2HG2 THR 73 -12.091 -1.795 -12.625 639 3HG2 THR 73 3HG2 THR 73 -12.697 -0.163 -12.975 640 H GLU 74 H GLU 74 -10.506 0.524 -10.980 641 HA GLU 74 HA GLU 74 -11.604 3.176 -11.477 642 1HB GLU 74 1HB GLU 74 -10.900 1.542 -9.011 643 2HB GLU 74 2HB GLU 74 -11.262 3.257 -8.866 644 1HG GLU 74 1HG GLU 74 -13.436 2.877 -10.073 645 2HG GLU 74 2HG GLU 74 -13.129 1.139 -9.997 646 HA PRO 75 HA PRO 75 -7.795 5.456 -11.121 647 1HB PRO 75 1HB PRO 75 -8.591 7.881 -10.153 648 2HB PRO 75 2HB PRO 75 -9.038 7.300 -11.789 649 1HG PRO 75 1HG PRO 75 -10.700 7.166 -9.250 650 2HG PRO 75 2HG PRO 75 -11.200 7.745 -10.870 651 1HD PRO 75 1HD PRO 75 -11.702 5.203 -9.982 652 2HD PRO 75 2HD PRO 75 -11.370 5.556 -11.704 653 HA PRO 76 HA PRO 76 -6.609 4.905 -6.772 654 1HB PRO 76 1HB PRO 76 -4.054 5.842 -6.807 655 2HB PRO 76 2HB PRO 76 -4.515 4.330 -7.648 656 1HG PRO 76 1HG PRO 76 -4.265 7.116 -8.839 657 2HG PRO 76 2HG PRO 76 -3.530 5.595 -9.439 658 1HD PRO 76 1HD PRO 76 -5.881 6.573 -10.433 659 2HD PRO 76 2HD PRO 76 -5.603 4.812 -10.261 660 H ARG 77 H ARG 77 -5.981 6.237 -4.889 661 HA ARG 77 HA ARG 77 -6.092 9.151 -5.118 662 1HB ARG 77 1HB ARG 77 -8.493 8.088 -5.165 663 2HB ARG 77 2HB ARG 77 -8.243 7.783 -3.447 664 1HG ARG 77 1HG ARG 77 -8.104 10.131 -2.971 665 2HG ARG 77 2HG ARG 77 -7.864 10.550 -4.673 666 1HD ARG 77 1HD ARG 77 -10.369 9.039 -4.164 667 2HD ARG 77 2HD ARG 77 -10.300 10.594 -3.331 668 HE ARG 77 HE ARG 77 -9.555 11.424 -5.727 669 1HH1 ARG 77 1HH1 ARG 77 -12.132 9.130 -5.148 670 2HH1 ARG 77 2HH1 ARG 77 -13.066 9.658 -6.521 671 1HH2 ARG 77 1HH2 ARG 77 -10.781 12.091 -7.462 672 2HH2 ARG 77 2HH2 ARG 77 -12.302 11.322 -7.793 673 H GLU 78 H GLU 78 -4.697 9.995 -3.585 674 HA GLU 78 HA GLU 78 -4.062 8.629 -1.095 675 1HB GLU 78 1HB GLU 78 -2.787 7.729 -3.340 676 2HB GLU 78 2HB GLU 78 -1.748 9.087 -2.971 677 1HG GLU 78 1HG GLU 78 -2.495 6.892 -0.965 678 2HG GLU 78 2HG GLU 78 -1.146 6.758 -2.080 Start of MODEL 12 1 1H GLY -2 1H GLY -2 3.800 17.777 5.878 2 2H GLY -2 2H GLY -2 2.799 18.856 6.617 3 3H GLY -2 3H GLY -2 2.164 17.534 5.871 4 1HA GLY -2 1HA GLY -2 3.754 17.653 8.329 5 2HA GLY -2 2HA GLY -2 2.092 17.080 8.184 6 H SER -1 H SER -1 1.932 14.944 6.582 7 HA SER -1 HA SER -1 4.164 13.179 7.460 8 1HB SER -1 1HB SER -1 2.493 13.758 9.297 9 2HB SER -1 2HB SER -1 1.270 12.892 8.345 10 HG SER -1 HG SER -1 2.490 11.662 9.993 11 H HIS 0 H HIS 0 3.598 10.859 7.142 12 HA HIS 0 HA HIS 0 1.537 9.841 5.593 13 1HB HIS 0 1HB HIS 0 2.600 9.042 3.556 14 2HB HIS 0 2HB HIS 0 2.676 10.784 3.617 15 HD1 HIS 0 HD1 HIS 0 5.034 7.751 4.171 16 HD2 HIS 0 HD2 HIS 0 5.008 11.872 3.269 17 HE1 HIS 0 HE1 HIS 0 7.457 8.368 3.541 18 HE2 HIS 0 HE2 HIS 0 7.433 10.888 2.988 19 H MET 1 H MET 1 2.080 7.286 5.077 20 HA MET 1 HA MET 1 3.987 6.172 7.053 21 1HB MET 1 1HB MET 1 1.790 6.916 8.148 22 2HB MET 1 2HB MET 1 0.989 5.650 7.225 23 1HG MET 1 1HG MET 1 2.269 3.941 8.425 24 2HG MET 1 2HG MET 1 3.263 5.194 9.195 25 1HE MET 1 1HE MET 1 1.298 2.901 11.118 26 2HE MET 1 2HE MET 1 2.801 3.843 11.304 27 3HE MET 1 3HE MET 1 1.400 4.154 12.357 28 H THR 2 H THR 2 4.389 3.871 6.822 29 HA THR 2 HA THR 2 3.035 2.264 4.754 30 HB THR 2 HB THR 2 5.343 1.521 3.968 31 HG1 THR 2 HG1 THR 2 7.040 2.884 4.331 32 1HG2 THR 2 1HG2 THR 2 5.774 3.341 2.404 33 2HG2 THR 2 2HG2 THR 2 4.047 3.005 2.500 34 3HG2 THR 2 3HG2 THR 2 4.716 4.428 3.330 35 H LEU 3 H LEU 3 3.311 -0.032 5.141 36 HA LEU 3 HA LEU 3 5.027 -1.013 7.309 37 1HB LEU 3 1HB LEU 3 2.007 -1.392 7.534 38 2HB LEU 3 2HB LEU 3 3.203 -2.237 8.485 39 HG LEU 3 HG LEU 3 3.850 0.448 8.932 40 1HD1 LEU 3 1HD1 LEU 3 1.787 1.494 9.628 41 2HD1 LEU 3 2HD1 LEU 3 1.656 1.063 7.921 42 3HD1 LEU 3 3HD1 LEU 3 0.843 0.069 9.150 43 1HD2 LEU 3 1HD2 LEU 3 2.253 -1.217 10.839 44 2HD2 LEU 3 2HD2 LEU 3 3.998 -1.378 10.559 45 3HD2 LEU 3 3HD2 LEU 3 3.325 0.141 11.161 46 H ARG 4 H ARG 4 4.532 -3.539 7.595 47 HA ARG 4 HA ARG 4 4.954 -4.786 4.931 48 1HB ARG 4 1HB ARG 4 5.218 -5.849 7.776 49 2HB ARG 4 2HB ARG 4 5.701 -6.736 6.331 50 1HG ARG 4 1HG ARG 4 7.584 -5.400 5.933 51 2HG ARG 4 2HG ARG 4 6.950 -4.039 6.863 52 1HD ARG 4 1HD ARG 4 8.692 -4.983 8.155 53 2HD ARG 4 2HD ARG 4 7.155 -5.327 8.958 54 HE ARG 4 HE ARG 4 8.015 -7.493 7.221 55 1HH1 ARG 4 1HH1 ARG 4 8.501 -6.168 10.423 56 2HH1 ARG 4 2HH1 ARG 4 9.223 -7.617 11.058 57 1HH2 ARG 4 1HH2 ARG 4 9.134 -9.289 8.025 58 2HH2 ARG 4 2HH2 ARG 4 9.543 -9.352 9.712 59 H ILE 5 H ILE 5 4.063 -6.999 4.509 60 HA ILE 5 HA ILE 5 1.278 -7.177 4.666 61 HB ILE 5 HB ILE 5 3.046 -8.630 3.281 62 1HG1 ILE 5 1HG1 ILE 5 0.287 -9.680 4.070 63 2HG1 ILE 5 2HG1 ILE 5 0.567 -8.350 2.952 64 1HG2 ILE 5 1HG2 ILE 5 2.252 -10.675 5.380 65 2HG2 ILE 5 2HG2 ILE 5 3.151 -10.954 3.887 66 3HG2 ILE 5 3HG2 ILE 5 3.886 -9.977 5.154 67 1HD1 ILE 5 1HD1 ILE 5 0.323 -10.069 1.454 68 2HD1 ILE 5 2HD1 ILE 5 2.074 -10.105 1.653 69 3HD1 ILE 5 3HD1 ILE 5 1.057 -11.279 2.529 70 H ARG 6 H ARG 6 3.594 -8.328 7.020 71 HA ARG 6 HA ARG 6 1.919 -9.934 8.676 72 1HB ARG 6 1HB ARG 6 4.330 -8.176 9.331 73 2HB ARG 6 2HB ARG 6 3.430 -9.036 10.569 74 1HG ARG 6 1HG ARG 6 5.176 -10.460 10.161 75 2HG ARG 6 2HG ARG 6 3.848 -11.199 9.270 76 1HD ARG 6 1HD ARG 6 4.772 -10.360 7.152 77 2HD ARG 6 2HD ARG 6 5.981 -9.414 8.024 78 HE ARG 6 HE ARG 6 7.206 -11.348 8.527 79 1HH1 ARG 6 1HH1 ARG 6 4.272 -12.398 6.905 80 2HH1 ARG 6 2HH1 ARG 6 4.916 -13.971 6.561 81 1HH2 ARG 6 1HH2 ARG 6 7.992 -13.379 8.044 82 2HH2 ARG 6 2HH2 ARG 6 6.977 -14.496 7.194 83 H THR 7 H THR 7 2.332 -6.369 8.687 84 HA THR 7 HA THR 7 0.522 -5.846 10.855 85 HB THR 7 HB THR 7 1.275 -4.057 8.519 86 HG1 THR 7 HG1 THR 7 2.467 -4.168 11.072 87 1HG2 THR 7 1HG2 THR 7 -0.676 -3.310 10.031 88 2HG2 THR 7 2HG2 THR 7 0.505 -3.233 11.351 89 3HG2 THR 7 3HG2 THR 7 0.672 -2.222 9.887 90 H ILE 8 H ILE 8 0.086 -5.922 7.277 91 HA ILE 8 HA ILE 8 -2.660 -5.071 7.382 92 HB ILE 8 HB ILE 8 -1.458 -6.798 5.184 93 1HG1 ILE 8 1HG1 ILE 8 -1.177 -3.817 5.711 94 2HG1 ILE 8 2HG1 ILE 8 0.094 -4.995 5.427 95 1HG2 ILE 8 1HG2 ILE 8 -3.975 -6.409 5.239 96 2HG2 ILE 8 2HG2 ILE 8 -3.649 -4.667 5.117 97 3HG2 ILE 8 3HG2 ILE 8 -3.172 -5.775 3.814 98 1HD1 ILE 8 1HD1 ILE 8 -0.155 -3.591 3.487 99 2HD1 ILE 8 2HD1 ILE 8 -0.640 -5.250 3.067 100 3HD1 ILE 8 3HD1 ILE 8 -1.860 -3.974 3.326 101 H ALA 9 H ALA 9 -1.183 -8.336 7.225 102 HA ALA 9 HA ALA 9 -3.600 -9.822 7.368 103 1HB ALA 9 1HB ALA 9 -1.311 -10.673 6.727 104 2HB ALA 9 2HB ALA 9 -0.852 -10.605 8.440 105 3HB ALA 9 3HB ALA 9 -2.163 -11.677 7.914 106 H ARG 10 H ARG 10 -1.434 -8.672 9.990 107 HA ARG 10 HA ARG 10 -2.632 -9.636 12.289 108 1HB ARG 10 1HB ARG 10 -1.055 -7.226 11.548 109 2HB ARG 10 2HB ARG 10 -1.921 -7.056 13.029 110 1HG ARG 10 1HG ARG 10 -0.188 -9.513 12.612 111 2HG ARG 10 2HG ARG 10 0.541 -7.941 12.949 112 1HD ARG 10 1HD ARG 10 -1.157 -7.801 14.933 113 2HD ARG 10 2HD ARG 10 -1.306 -9.544 14.743 114 HE ARG 10 HE ARG 10 0.980 -7.964 15.715 115 1HH1 ARG 10 1HH1 ARG 10 0.053 -11.166 14.685 116 2HH1 ARG 10 2HH1 ARG 10 1.440 -11.932 15.412 117 1HH2 ARG 10 1HH2 ARG 10 2.759 -8.951 16.617 118 2HH2 ARG 10 2HH2 ARG 10 2.949 -10.671 16.488 119 H MET 11 H MET 11 -4.206 -7.335 10.192 120 HA MET 11 HA MET 11 -6.093 -6.174 11.983 121 1HB MET 11 1HB MET 11 -6.458 -7.219 9.143 122 2HB MET 11 2HB MET 11 -7.671 -6.280 10.016 123 1HG MET 11 1HG MET 11 -6.206 -4.347 10.117 124 2HG MET 11 2HG MET 11 -4.883 -5.268 9.386 125 1HE MET 11 1HE MET 11 -4.408 -3.638 7.730 126 2HE MET 11 2HE MET 11 -5.367 -3.278 6.277 127 3HE MET 11 3HE MET 11 -5.735 -2.452 7.814 128 H THR 12 H THR 12 -6.121 -9.408 10.438 129 HA THR 12 HA THR 12 -7.998 -10.369 12.527 130 HB THR 12 HB THR 12 -9.664 -11.252 11.072 131 HG1 THR 12 HG1 THR 12 -9.499 -11.393 9.038 132 1HG2 THR 12 1HG2 THR 12 -10.766 -9.330 10.110 133 2HG2 THR 12 2HG2 THR 12 -10.062 -8.891 11.676 134 3HG2 THR 12 3HG2 THR 12 -9.264 -8.379 10.175 135 H GLY 13 H GLY 13 -5.410 -11.130 10.401 136 1HA GLY 13 1HA GLY 13 -4.227 -13.023 10.024 137 2HA GLY 13 2HA GLY 13 -5.191 -13.881 11.227 138 H ILE 14 H ILE 14 -7.747 -13.701 10.049 139 HA ILE 14 HA ILE 14 -7.811 -15.840 8.286 140 HB ILE 14 HB ILE 14 -10.031 -15.703 8.221 141 1HG1 ILE 14 1HG1 ILE 14 -11.434 -13.566 8.254 142 2HG1 ILE 14 2HG1 ILE 14 -9.986 -12.693 7.788 143 1HG2 ILE 14 1HG2 ILE 14 -9.725 -13.551 10.334 144 2HG2 ILE 14 2HG2 ILE 14 -10.990 -14.774 10.196 145 3HG2 ILE 14 3HG2 ILE 14 -9.343 -15.271 10.591 146 1HD1 ILE 14 1HD1 ILE 14 -10.828 -15.090 6.139 147 2HD1 ILE 14 2HD1 ILE 14 -11.782 -13.602 6.028 148 3HD1 ILE 14 3HD1 ILE 14 -10.067 -13.571 5.612 149 H ARG 15 H ARG 15 -7.418 -12.510 7.469 150 HA ARG 15 HA ARG 15 -7.708 -12.638 4.601 151 1HB ARG 15 1HB ARG 15 -6.042 -10.762 6.335 152 2HB ARG 15 2HB ARG 15 -6.477 -10.474 4.648 153 1HG ARG 15 1HG ARG 15 -8.693 -10.012 5.118 154 2HG ARG 15 2HG ARG 15 -8.717 -10.900 6.630 155 1HD ARG 15 1HD ARG 15 -7.141 -9.222 7.628 156 2HD ARG 15 2HD ARG 15 -7.297 -8.251 6.160 157 HE ARG 15 HE ARG 15 -9.470 -8.990 8.086 158 1HH1 ARG 15 1HH1 ARG 15 -8.170 -6.567 5.946 159 2HH1 ARG 15 2HH1 ARG 15 -9.606 -5.566 5.997 160 1HH2 ARG 15 1HH2 ARG 15 -11.273 -7.602 8.219 161 2HH2 ARG 15 2HH2 ARG 15 -11.260 -6.101 7.342 162 H GLU 16 H GLU 16 -5.008 -13.612 6.718 163 HA GLU 16 HA GLU 16 -2.893 -12.985 4.945 164 1HB GLU 16 1HB GLU 16 -2.784 -13.729 7.423 165 2HB GLU 16 2HB GLU 16 -2.816 -15.379 6.789 166 1HG GLU 16 1HG GLU 16 -0.834 -14.795 5.328 167 2HG GLU 16 2HG GLU 16 -0.830 -13.178 6.027 168 H ALA 17 H ALA 17 -4.853 -15.918 5.207 169 HA ALA 17 HA ALA 17 -3.615 -17.558 3.273 170 1HB ALA 17 1HB ALA 17 -5.318 -18.295 4.904 171 2HB ALA 17 2HB ALA 17 -6.547 -17.311 4.082 172 3HB ALA 17 3HB ALA 17 -5.819 -18.700 3.248 173 H THR 18 H THR 18 -5.639 -14.762 2.829 174 HA THR 18 HA THR 18 -6.101 -15.188 -0.067 175 HB THR 18 HB THR 18 -7.215 -13.392 2.086 176 HG1 THR 18 HG1 THR 18 -8.553 -14.717 0.020 177 1HG2 THR 18 1HG2 THR 18 -7.590 -12.933 -0.882 178 2HG2 THR 18 2HG2 THR 18 -8.522 -12.177 0.437 179 3HG2 THR 18 3HG2 THR 18 -6.809 -11.814 0.269 180 H LEU 19 H LEU 19 -4.520 -12.873 2.165 181 HA LEU 19 HA LEU 19 -3.311 -11.130 0.287 182 1HB LEU 19 1HB LEU 19 -2.346 -12.108 3.007 183 2HB LEU 19 2HB LEU 19 -1.653 -10.754 2.143 184 HG LEU 19 HG LEU 19 -4.555 -10.768 3.052 185 1HD1 LEU 19 1HD1 LEU 19 -2.005 -10.079 4.498 186 2HD1 LEU 19 2HD1 LEU 19 -3.439 -9.080 4.787 187 3HD1 LEU 19 3HD1 LEU 19 -3.504 -10.814 5.104 188 1HD2 LEU 19 1HD2 LEU 19 -4.220 -9.198 1.322 189 2HD2 LEU 19 2HD2 LEU 19 -4.261 -8.315 2.849 190 3HD2 LEU 19 3HD2 LEU 19 -2.700 -8.596 2.031 191 H ARG 20 H ARG 20 -1.834 -14.017 1.862 192 HA ARG 20 HA ARG 20 0.550 -14.007 0.230 193 1HB ARG 20 1HB ARG 20 1.110 -16.048 1.289 194 2HB ARG 20 2HB ARG 20 0.263 -15.090 2.492 195 1HG ARG 20 1HG ARG 20 -0.725 -17.120 2.863 196 2HG ARG 20 2HG ARG 20 -1.863 -16.483 1.675 197 1HD ARG 20 1HD ARG 20 -0.675 -17.770 -0.110 198 2HD ARG 20 2HD ARG 20 0.410 -18.426 1.120 199 HE ARG 20 HE ARG 20 -2.038 -19.043 2.128 200 1HH1 ARG 20 1HH1 ARG 20 -0.743 -19.605 -1.055 201 2HH1 ARG 20 2HH1 ARG 20 -1.656 -21.075 -1.304 202 1HH2 ARG 20 1HH2 ARG 20 -3.184 -20.930 1.805 203 2HH2 ARG 20 2HH2 ARG 20 -3.026 -21.802 0.314 204 H ALA 21 H ALA 21 -2.638 -15.316 -0.300 205 HA ALA 21 HA ALA 21 -1.924 -17.061 -2.515 206 1HB ALA 21 1HB ALA 21 -4.460 -16.611 -3.026 207 2HB ALA 21 2HB ALA 21 -4.003 -17.599 -1.614 208 3HB ALA 21 3HB ALA 21 -4.492 -15.916 -1.415 209 H TRP 22 H TRP 22 -3.330 -13.712 -2.335 210 HA TRP 22 HA TRP 22 -3.308 -13.146 -5.070 211 1HB TRP 22 1HB TRP 22 -2.671 -11.240 -2.828 212 2HB TRP 22 2HB TRP 22 -3.148 -10.837 -4.483 213 HD1 TRP 22 HD1 TRP 22 -5.594 -13.070 -4.474 214 HE1 TRP 22 HE1 TRP 22 -7.804 -12.217 -3.479 215 HE3 TRP 22 HE3 TRP 22 -3.781 -9.338 -1.497 216 HZ2 TRP 22 HZ2 TRP 22 -8.664 -10.150 -1.730 217 HZ3 TRP 22 HZ3 TRP 22 -5.328 -7.896 -0.214 218 HH2 TRP 22 HH2 TRP 22 -7.781 -8.298 -0.280 219 H GLU 23 H GLU 23 -0.561 -12.880 -2.837 220 HA GLU 23 HA GLU 23 1.395 -11.740 -4.421 221 1HB GLU 23 1HB GLU 23 1.236 -13.035 -2.003 222 2HB GLU 23 2HB GLU 23 2.233 -14.172 -2.881 223 1HG GLU 23 1HG GLU 23 2.806 -11.167 -2.790 224 2HG GLU 23 2HG GLU 23 3.257 -12.223 -1.467 225 H ARG 24 H ARG 24 0.112 -15.001 -4.788 226 HA ARG 24 HA ARG 24 1.756 -15.407 -7.278 227 1HB ARG 24 1HB ARG 24 0.599 -17.343 -5.253 228 2HB ARG 24 2HB ARG 24 1.041 -17.874 -6.883 229 1HG ARG 24 1HG ARG 24 3.352 -17.263 -6.580 230 2HG ARG 24 2HG ARG 24 2.993 -16.414 -5.074 231 1HD ARG 24 1HD ARG 24 3.943 -18.382 -4.338 232 2HD ARG 24 2HD ARG 24 2.227 -18.674 -4.112 233 HE ARG 24 HE ARG 24 4.099 -19.982 -5.963 234 1HH1 ARG 24 1HH1 ARG 24 0.691 -19.599 -5.361 235 2HH1 ARG 24 2HH1 ARG 24 0.270 -21.143 -6.069 236 1HH2 ARG 24 1HH2 ARG 24 3.547 -21.964 -6.821 237 2HH2 ARG 24 2HH2 ARG 24 1.883 -22.450 -6.876 238 H ARG 25 H ARG 25 -1.386 -14.737 -6.233 239 HA ARG 25 HA ARG 25 -2.702 -16.004 -8.572 240 1HB ARG 25 1HB ARG 25 -3.442 -16.066 -6.060 241 2HB ARG 25 2HB ARG 25 -4.147 -14.485 -6.399 242 1HG ARG 25 1HG ARG 25 -5.562 -15.496 -8.139 243 2HG ARG 25 2HG ARG 25 -4.806 -17.070 -7.866 244 1HD ARG 25 1HD ARG 25 -6.274 -15.514 -5.687 245 2HD ARG 25 2HD ARG 25 -7.051 -16.723 -6.723 246 HE ARG 25 HE ARG 25 -4.722 -17.855 -5.534 247 1HH1 ARG 25 1HH1 ARG 25 -7.957 -16.934 -4.556 248 2HH1 ARG 25 2HH1 ARG 25 -8.007 -18.078 -3.240 249 1HH2 ARG 25 1HH2 ARG 25 -4.844 -19.338 -3.863 250 2HH2 ARG 25 2HH2 ARG 25 -6.260 -19.396 -2.858 251 H TYR 26 H TYR 26 -1.891 -12.762 -7.514 252 HA TYR 26 HA TYR 26 -2.652 -11.679 -10.168 253 1HB TYR 26 1HB TYR 26 -3.706 -10.269 -7.687 254 2HB TYR 26 2HB TYR 26 -4.014 -9.870 -9.368 255 HD1 TYR 26 HD1 TYR 26 -4.943 -11.910 -6.520 256 HD2 TYR 26 HD2 TYR 26 -5.557 -11.329 -10.743 257 HE1 TYR 26 HE1 TYR 26 -6.867 -13.497 -6.472 258 HE2 TYR 26 HE2 TYR 26 -7.518 -12.853 -10.678 259 HH TYR 26 HH TYR 26 -8.765 -14.217 -9.394 260 H GLY 27 H GLY 27 -1.258 -11.038 -6.958 261 1HA GLY 27 1HA GLY 27 0.909 -10.104 -6.708 262 2HA GLY 27 2HA GLY 27 0.614 -9.003 -8.052 263 H PHE 28 H PHE 28 -2.240 -8.614 -6.659 264 HA PHE 28 HA PHE 28 -1.547 -6.178 -5.249 265 1HB PHE 28 1HB PHE 28 -3.509 -6.211 -6.574 266 2HB PHE 28 2HB PHE 28 -4.081 -7.697 -5.846 267 HD1 PHE 28 HD1 PHE 28 -5.235 -7.736 -3.697 268 HD2 PHE 28 HD2 PHE 28 -3.818 -4.016 -5.374 269 HE1 PHE 28 HE1 PHE 28 -6.836 -6.484 -2.285 270 HE2 PHE 28 HE2 PHE 28 -5.360 -2.777 -3.910 271 HZ PHE 28 HZ PHE 28 -6.919 -3.999 -2.409 272 HA PRO 29 HA PRO 29 -1.842 -4.788 -3.453 273 1HB PRO 29 1HB PRO 29 -0.410 -4.182 -1.213 274 2HB PRO 29 2HB PRO 29 -2.186 -4.283 -1.251 275 1HG PRO 29 1HG PRO 29 -0.194 -6.406 -0.361 276 2HG PRO 29 2HG PRO 29 -1.664 -5.890 0.498 277 1HD PRO 29 1HD PRO 29 -1.568 -8.113 -1.100 278 2HD PRO 29 2HD PRO 29 -3.043 -7.117 -0.983 279 H ARG 30 H ARG 30 -0.054 -3.914 -4.413 280 HA ARG 30 HA ARG 30 1.887 -5.992 -5.138 281 1HB ARG 30 1HB ARG 30 0.630 -4.055 -6.641 282 2HB ARG 30 2HB ARG 30 2.259 -3.372 -6.466 283 1HG ARG 30 1HG ARG 30 3.245 -5.492 -7.290 284 2HG ARG 30 2HG ARG 30 1.637 -6.242 -7.327 285 1HD ARG 30 1HD ARG 30 0.916 -4.543 -9.001 286 2HD ARG 30 2HD ARG 30 2.596 -3.954 -9.069 287 HE ARG 30 HE ARG 30 2.690 -6.737 -9.459 288 1HH1 ARG 30 1HH1 ARG 30 1.388 -4.026 -11.195 289 2HH1 ARG 30 2HH1 ARG 30 1.437 -4.824 -12.751 290 1HH2 ARG 30 1HH2 ARG 30 2.745 -7.767 -11.454 291 2HH2 ARG 30 2HH2 ARG 30 2.215 -6.923 -12.874 292 HA PRO 31 HA PRO 31 4.717 -4.471 -2.122 293 1HB PRO 31 1HB PRO 31 6.913 -5.967 -2.692 294 2HB PRO 31 2HB PRO 31 5.437 -6.629 -1.901 295 1HG PRO 31 1HG PRO 31 6.207 -6.807 -4.821 296 2HG PRO 31 2HG PRO 31 5.607 -8.110 -3.743 297 1HD PRO 31 1HD PRO 31 3.955 -6.749 -5.423 298 2HD PRO 31 2HD PRO 31 3.403 -7.274 -3.805 299 H LEU 32 H LEU 32 5.262 -2.432 -2.446 300 HA LEU 32 HA LEU 32 6.536 -1.423 -4.824 301 1HB LEU 32 1HB LEU 32 7.133 0.545 -3.173 302 2HB LEU 32 2HB LEU 32 5.544 0.349 -3.845 303 HG LEU 32 HG LEU 32 6.115 -0.861 -1.131 304 1HD1 LEU 32 1HD1 LEU 32 7.043 1.400 -0.974 305 2HD1 LEU 32 2HD1 LEU 32 5.514 2.079 -1.595 306 3HD1 LEU 32 3HD1 LEU 32 5.559 1.243 -0.027 307 1HD2 LEU 32 1HD2 LEU 32 3.699 0.147 -0.857 308 2HD2 LEU 32 2HD2 LEU 32 3.703 0.317 -2.600 309 3HD2 LEU 32 3HD2 LEU 32 3.866 -1.295 -1.878 310 H ARG 33 H ARG 33 8.584 -0.338 -4.840 311 HA ARG 33 HA ARG 33 10.868 -1.938 -4.445 312 1HB ARG 33 1HB ARG 33 10.435 1.062 -4.690 313 2HB ARG 33 2HB ARG 33 12.052 0.391 -4.542 314 1HG ARG 33 1HG ARG 33 10.154 -0.566 -6.734 315 2HG ARG 33 2HG ARG 33 11.114 0.901 -6.890 316 1HD ARG 33 1HD ARG 33 13.152 -0.654 -6.212 317 2HD ARG 33 2HD ARG 33 12.071 -1.965 -6.676 318 HE ARG 33 HE ARG 33 12.422 -1.423 -8.893 319 1HH1 ARG 33 1HH1 ARG 33 13.399 1.366 -7.026 320 2HH1 ARG 33 2HH1 ARG 33 14.019 2.232 -8.403 321 1HH2 ARG 33 1HH2 ARG 33 13.251 -0.288 -10.660 322 2HH2 ARG 33 2HH2 ARG 33 13.934 1.289 -10.416 323 H SER 34 H SER 34 12.196 -2.333 -2.823 324 HA SER 34 HA SER 34 12.069 -0.868 -0.276 325 1HB SER 34 1HB SER 34 12.039 -2.994 1.000 326 2HB SER 34 2HB SER 34 10.551 -2.730 0.086 327 HG SER 34 HG SER 34 11.389 -4.140 -1.514 328 H GLU 35 H GLU 35 13.990 -1.853 1.144 329 HA GLU 35 HA GLU 35 16.366 -1.377 -0.474 330 1HB GLU 35 1HB GLU 35 15.699 -0.864 2.161 331 2HB GLU 35 2HB GLU 35 16.682 -2.316 2.314 332 1HG GLU 35 1HG GLU 35 18.265 -0.880 0.616 333 2HG GLU 35 2HG GLU 35 17.467 0.435 1.490 334 H GLY 36 H GLY 36 18.390 -2.930 0.519 335 1HA GLY 36 1HA GLY 36 18.092 -5.252 -1.166 336 2HA GLY 36 2HA GLY 36 19.512 -4.825 -0.207 337 H ASN 37 H ASN 37 19.125 -5.189 2.281 338 HA ASN 37 HA ASN 37 18.166 -7.963 2.693 339 1HB ASN 37 1HB ASN 37 19.511 -5.907 4.498 340 2HB ASN 37 2HB ASN 37 18.948 -7.478 5.076 341 1HD2 ASN 37 1HD2 ASN 37 21.663 -6.699 5.280 342 2HD2 ASN 37 2HD2 ASN 37 22.515 -7.825 4.213 343 H ASN 38 H ASN 38 16.668 -4.974 2.719 344 HA ASN 38 HA ASN 38 14.838 -5.325 4.951 345 1HB ASN 38 1HB ASN 38 15.551 -3.125 4.018 346 2HB ASN 38 2HB ASN 38 14.759 -3.553 2.485 347 1HD2 ASN 38 1HD2 ASN 38 13.673 -3.670 5.974 348 2HD2 ASN 38 2HD2 ASN 38 12.259 -2.689 5.568 349 H TYR 39 H TYR 39 12.375 -5.166 4.328 350 HA TYR 39 HA TYR 39 11.825 -7.541 2.604 351 1HB TYR 39 1HB TYR 39 9.960 -7.084 4.818 352 2HB TYR 39 2HB TYR 39 10.732 -8.558 4.279 353 HD1 TYR 39 HD1 TYR 39 10.430 -6.323 6.950 354 HD2 TYR 39 HD2 TYR 39 13.453 -8.576 4.858 355 HE1 TYR 39 HE1 TYR 39 11.909 -6.222 8.964 356 HE2 TYR 39 HE2 TYR 39 14.946 -8.399 6.815 357 HH TYR 39 HH TYR 39 15.208 -7.531 8.941 358 H ARG 40 H ARG 40 9.617 -7.699 1.816 359 HA ARG 40 HA ARG 40 8.811 -5.352 0.440 360 1HB ARG 40 1HB ARG 40 7.272 -7.949 0.923 361 2HB ARG 40 2HB ARG 40 6.773 -6.653 -0.152 362 1HG ARG 40 1HG ARG 40 7.953 -7.671 -1.800 363 2HG ARG 40 2HG ARG 40 9.385 -7.077 -0.996 364 1HD ARG 40 1HD ARG 40 9.983 -9.231 -1.099 365 2HD ARG 40 2HD ARG 40 9.059 -9.378 0.401 366 HE ARG 40 HE ARG 40 7.218 -9.856 -1.697 367 1HH1 ARG 40 1HH1 ARG 40 10.166 -11.368 -0.636 368 2HH1 ARG 40 2HH1 ARG 40 9.794 -12.893 -1.403 369 1HH2 ARG 40 1HH2 ARG 40 6.719 -11.852 -2.713 370 2HH2 ARG 40 2HH2 ARG 40 7.837 -13.145 -2.491 371 H VAL 41 H VAL 41 7.436 -3.797 0.762 372 HA VAL 41 HA VAL 41 5.772 -3.646 3.217 373 HB VAL 41 HB VAL 41 6.425 -1.179 3.275 374 1HG1 VAL 41 1HG1 VAL 41 7.153 -2.733 4.976 375 2HG1 VAL 41 2HG1 VAL 41 8.545 -3.231 3.984 376 3HG1 VAL 41 3HG1 VAL 41 8.438 -1.573 4.610 377 1HG2 VAL 41 1HG2 VAL 41 7.574 -1.097 1.036 378 2HG2 VAL 41 2HG2 VAL 41 8.548 -0.479 2.379 379 3HG2 VAL 41 3HG2 VAL 41 8.883 -2.088 1.724 380 H TYR 42 H TYR 42 4.196 -1.911 3.128 381 HA TYR 42 HA TYR 42 3.076 -1.337 0.448 382 1HB TYR 42 1HB TYR 42 1.633 -2.416 2.872 383 2HB TYR 42 2HB TYR 42 0.880 -1.981 1.336 384 HD1 TYR 42 HD1 TYR 42 2.187 -3.114 -0.809 385 HD2 TYR 42 HD2 TYR 42 1.994 -4.698 3.204 386 HE1 TYR 42 HE1 TYR 42 2.598 -5.384 -1.674 387 HE2 TYR 42 HE2 TYR 42 2.315 -6.985 2.270 388 HH TYR 42 HH TYR 42 2.345 -7.630 -1.169 389 H SER 43 H SER 43 1.500 0.335 0.451 390 HA SER 43 HA SER 43 1.979 2.492 2.441 391 1HB SER 43 1HB SER 43 0.817 2.469 -0.366 392 2HB SER 43 2HB SER 43 0.961 3.918 0.656 393 HG SER 43 HG SER 43 2.644 3.647 -0.854 394 H ARG 44 H ARG 44 0.208 3.842 3.057 395 HA ARG 44 HA ARG 44 -2.037 2.615 4.191 396 1HB ARG 44 1HB ARG 44 -0.984 4.919 4.634 397 2HB ARG 44 2HB ARG 44 -1.899 5.492 3.249 398 1HG ARG 44 1HG ARG 44 -3.276 6.093 4.953 399 2HG ARG 44 2HG ARG 44 -4.008 4.551 4.540 400 1HD ARG 44 1HD ARG 44 -3.425 3.589 6.550 401 2HD ARG 44 2HD ARG 44 -1.859 4.419 6.623 402 HE ARG 44 HE ARG 44 -3.864 6.374 6.926 403 1HH1 ARG 44 1HH1 ARG 44 -2.636 3.721 8.849 404 2HH1 ARG 44 2HH1 ARG 44 -2.962 4.525 10.361 405 1HH2 ARG 44 1HH2 ARG 44 -4.244 7.380 8.867 406 2HH2 ARG 44 2HH2 ARG 44 -3.872 6.567 10.354 407 H GLU 45 H GLU 45 -1.802 4.115 0.997 408 HA GLU 45 HA GLU 45 -4.465 3.949 0.069 409 1HB GLU 45 1HB GLU 45 -3.336 3.852 -2.212 410 2HB GLU 45 2HB GLU 45 -2.959 5.241 -1.189 411 1HG GLU 45 1HG GLU 45 -0.830 4.357 -0.556 412 2HG GLU 45 2HG GLU 45 -1.141 2.803 -1.319 413 H GLU 46 H GLU 46 -1.849 1.494 -0.285 414 HA GLU 46 HA GLU 46 -3.588 -0.486 -1.497 415 1HB GLU 46 1HB GLU 46 -0.834 -0.565 -0.219 416 2HB GLU 46 2HB GLU 46 -1.652 -2.050 -0.676 417 1HG GLU 46 1HG GLU 46 -1.208 0.200 -2.675 418 2HG GLU 46 2HG GLU 46 0.012 -1.023 -2.339 419 H VAL 47 H VAL 47 -2.482 0.146 1.853 420 HA VAL 47 HA VAL 47 -3.834 -2.009 3.114 421 HB VAL 47 HB VAL 47 -3.041 0.739 4.079 422 1HG1 VAL 47 1HG1 VAL 47 -4.550 -1.348 5.674 423 2HG1 VAL 47 2HG1 VAL 47 -3.596 -0.043 6.411 424 3HG1 VAL 47 3HG1 VAL 47 -5.006 0.349 5.421 425 1HG2 VAL 47 1HG2 VAL 47 -1.329 -1.059 3.729 426 2HG2 VAL 47 2HG2 VAL 47 -1.463 -0.550 5.422 427 3HG2 VAL 47 3HG2 VAL 47 -2.224 -2.063 4.891 428 H GLU 48 H GLU 48 -5.250 1.297 2.453 429 HA GLU 48 HA GLU 48 -7.784 0.477 3.525 430 1HB GLU 48 1HB GLU 48 -8.767 2.416 2.557 431 2HB GLU 48 2HB GLU 48 -7.242 2.821 3.339 432 1HG GLU 48 1HG GLU 48 -6.134 2.971 1.165 433 2HG GLU 48 2HG GLU 48 -7.623 2.509 0.324 434 H ALA 49 H ALA 49 -6.600 0.412 0.132 435 HA ALA 49 HA ALA 49 -8.958 -0.590 -1.070 436 1HB ALA 49 1HB ALA 49 -6.024 -1.097 -1.761 437 2HB ALA 49 2HB ALA 49 -7.406 -1.430 -2.820 438 3HB ALA 49 3HB ALA 49 -7.032 0.241 -2.345 439 H VAL 50 H VAL 50 -6.138 -2.444 0.144 440 HA VAL 50 HA VAL 50 -7.153 -5.071 -0.152 441 HB VAL 50 HB VAL 50 -5.178 -3.832 1.798 442 1HG1 VAL 50 1HG1 VAL 50 -5.740 -5.775 2.982 443 2HG1 VAL 50 2HG1 VAL 50 -5.986 -6.731 1.508 444 3HG1 VAL 50 3HG1 VAL 50 -4.348 -6.252 1.997 445 1HG2 VAL 50 1HG2 VAL 50 -4.651 -3.921 -0.715 446 2HG2 VAL 50 2HG2 VAL 50 -3.527 -4.704 0.388 447 3HG2 VAL 50 3HG2 VAL 50 -4.680 -5.679 -0.568 448 H ARG 51 H ARG 51 -7.333 -2.895 2.699 449 HA ARG 51 HA ARG 51 -8.753 -4.704 4.345 450 1HB ARG 51 1HB ARG 51 -7.540 -2.762 5.155 451 2HB ARG 51 2HB ARG 51 -8.656 -1.659 4.361 452 1HG ARG 51 1HG ARG 51 -9.541 -3.614 6.529 453 2HG ARG 51 2HG ARG 51 -8.833 -2.050 6.890 454 1HD ARG 51 1HD ARG 51 -10.852 -1.446 5.000 455 2HD ARG 51 2HD ARG 51 -11.560 -2.700 6.009 456 HE ARG 51 HE ARG 51 -11.582 -1.242 7.823 457 1HH1 ARG 51 1HH1 ARG 51 -9.691 0.260 5.290 458 2HH1 ARG 51 2HH1 ARG 51 -9.493 1.756 6.156 459 1HH2 ARG 51 1HH2 ARG 51 -11.294 0.691 8.929 460 2HH2 ARG 51 2HH2 ARG 51 -10.406 1.982 8.185 461 H ARG 52 H ARG 52 -9.975 -2.324 1.981 462 HA ARG 52 HA ARG 52 -12.770 -2.903 2.411 463 1HB ARG 52 1HB ARG 52 -11.779 -0.910 1.140 464 2HB ARG 52 2HB ARG 52 -11.521 -1.998 -0.218 465 1HG ARG 52 1HG ARG 52 -13.674 -1.779 -0.865 466 2HG ARG 52 2HG ARG 52 -14.232 -2.408 0.682 467 1HD ARG 52 1HD ARG 52 -15.247 -0.290 0.470 468 2HD ARG 52 2HD ARG 52 -13.946 -0.098 1.657 469 HE ARG 52 HE ARG 52 -13.279 0.533 -1.153 470 1HH1 ARG 52 1HH1 ARG 52 -14.274 1.938 1.891 471 2HH1 ARG 52 2HH1 ARG 52 -13.732 3.538 1.448 472 1HH2 ARG 52 1HH2 ARG 52 -12.630 2.604 -1.695 473 2HH2 ARG 52 2HH2 ARG 52 -12.783 3.882 -0.537 474 H VAL 53 H VAL 53 -10.514 -4.138 -0.109 475 HA VAL 53 HA VAL 53 -12.207 -6.025 -1.323 476 HB VAL 53 HB VAL 53 -9.199 -6.229 -0.870 477 1HG1 VAL 53 1HG1 VAL 53 -9.293 -7.787 -2.859 478 2HG1 VAL 53 2HG1 VAL 53 -9.983 -8.416 -1.365 479 3HG1 VAL 53 3HG1 VAL 53 -11.056 -7.851 -2.636 480 1HG2 VAL 53 1HG2 VAL 53 -9.479 -5.651 -3.514 481 2HG2 VAL 53 2HG2 VAL 53 -10.888 -4.785 -2.870 482 3HG2 VAL 53 3HG2 VAL 53 -9.269 -4.430 -2.281 483 H ALA 54 H ALA 54 -10.064 -6.621 1.486 484 HA ALA 54 HA ALA 54 -10.801 -9.270 2.089 485 1HB ALA 54 1HB ALA 54 -8.906 -8.242 3.118 486 2HB ALA 54 2HB ALA 54 -9.889 -6.905 3.751 487 3HB ALA 54 3HB ALA 54 -10.092 -8.531 4.421 488 H ARG 55 H ARG 55 -12.374 -6.226 3.278 489 HA ARG 55 HA ARG 55 -14.344 -7.693 4.836 490 1HB ARG 55 1HB ARG 55 -13.494 -5.146 4.913 491 2HB ARG 55 2HB ARG 55 -14.895 -4.876 3.886 492 1HG ARG 55 1HG ARG 55 -14.924 -6.306 6.592 493 2HG ARG 55 2HG ARG 55 -15.179 -4.576 6.420 494 1HD ARG 55 1HD ARG 55 -16.961 -6.658 5.121 495 2HD ARG 55 2HD ARG 55 -17.246 -6.005 6.722 496 HE ARG 55 HE ARG 55 -17.120 -3.710 5.304 497 1HH1 ARG 55 1HH1 ARG 55 -18.838 -6.664 4.640 498 2HH1 ARG 55 2HH1 ARG 55 -20.150 -5.938 3.786 499 1HH2 ARG 55 1HH2 ARG 55 -18.953 -2.665 4.378 500 2HH2 ARG 55 2HH2 ARG 55 -20.242 -3.688 3.784 501 H LEU 56 H LEU 56 -14.320 -6.375 1.534 502 HA LEU 56 HA LEU 56 -16.977 -7.114 0.820 503 1HB LEU 56 1HB LEU 56 -14.554 -6.157 -0.515 504 2HB LEU 56 2HB LEU 56 -15.208 -7.479 -1.405 505 HG LEU 56 HG LEU 56 -16.098 -5.618 -2.417 506 1HD1 LEU 56 1HD1 LEU 56 -17.844 -7.380 -1.848 507 2HD1 LEU 56 2HD1 LEU 56 -18.410 -6.291 -0.559 508 3HD1 LEU 56 3HD1 LEU 56 -18.454 -5.766 -2.245 509 1HD2 LEU 56 1HD2 LEU 56 -16.825 -4.497 0.310 510 2HD2 LEU 56 2HD2 LEU 56 -15.520 -3.949 -0.771 511 3HD2 LEU 56 3HD2 LEU 56 -17.210 -3.754 -1.262 512 H ILE 57 H ILE 57 -13.943 -8.995 0.660 513 HA ILE 57 HA ILE 57 -15.004 -11.409 -0.378 514 HB ILE 57 HB ILE 57 -12.622 -10.680 1.303 515 1HG1 ILE 57 1HG1 ILE 57 -12.796 -12.020 -1.415 516 2HG1 ILE 57 2HG1 ILE 57 -12.977 -10.280 -1.234 517 1HG2 ILE 57 1HG2 ILE 57 -13.060 -12.872 2.212 518 2HG2 ILE 57 2HG2 ILE 57 -13.327 -13.557 0.599 519 3HG2 ILE 57 3HG2 ILE 57 -11.718 -13.001 1.087 520 1HD1 ILE 57 1HD1 ILE 57 -10.725 -10.700 -1.771 521 2HD1 ILE 57 2HD1 ILE 57 -10.765 -10.171 -0.078 522 3HD1 ILE 57 3HD1 ILE 57 -10.537 -11.889 -0.467 523 H GLN 58 H GLN 58 -15.143 -10.214 2.971 524 HA GLN 58 HA GLN 58 -16.252 -12.634 4.052 525 1HB GLN 58 1HB GLN 58 -15.833 -9.874 4.966 526 2HB GLN 58 2HB GLN 58 -17.401 -10.469 5.481 527 1HG GLN 58 1HG GLN 58 -14.680 -11.698 6.062 528 2HG GLN 58 2HG GLN 58 -15.760 -10.879 7.191 529 1HE2 GLN 58 1HE2 GLN 58 -14.951 -13.998 5.801 530 2HE2 GLN 58 2HE2 GLN 58 -16.335 -14.794 6.566 531 H GLU 59 H GLU 59 -17.716 -10.404 1.777 532 HA GLU 59 HA GLU 59 -20.441 -11.225 2.555 533 1HB GLU 59 1HB GLU 59 -19.669 -9.693 0.057 534 2HB GLU 59 2HB GLU 59 -21.233 -9.820 0.851 535 1HG GLU 59 1HG GLU 59 -19.724 -8.708 2.879 536 2HG GLU 59 2HG GLU 59 -18.905 -8.061 1.464 537 H GLU 60 H GLU 60 -17.977 -12.305 0.305 538 HA GLU 60 HA GLU 60 -19.645 -14.527 -0.617 539 1HB GLU 60 1HB GLU 60 -19.855 -12.081 -2.087 540 2HB GLU 60 2HB GLU 60 -18.860 -13.121 -3.075 541 1HG GLU 60 1HG GLU 60 -21.528 -14.002 -1.881 542 2HG GLU 60 2HG GLU 60 -21.392 -13.197 -3.439 543 H GLY 61 H GLY 61 -16.733 -12.630 -1.395 544 1HA GLY 61 1HA GLY 61 -14.528 -13.559 -1.180 545 2HA GLY 61 2HA GLY 61 -15.138 -15.157 -1.580 546 H LEU 62 H LEU 62 -16.673 -14.098 -3.938 547 HA LEU 62 HA LEU 62 -14.931 -14.157 -6.131 548 1HB LEU 62 1HB LEU 62 -17.189 -14.347 -6.599 549 2HB LEU 62 2HB LEU 62 -17.644 -13.026 -5.538 550 HG LEU 62 HG LEU 62 -16.905 -11.362 -7.158 551 1HD1 LEU 62 1HD1 LEU 62 -16.205 -13.762 -8.908 552 2HD1 LEU 62 2HD1 LEU 62 -16.551 -12.148 -9.569 553 3HD1 LEU 62 3HD1 LEU 62 -15.175 -12.373 -8.508 554 1HD2 LEU 62 1HD2 LEU 62 -18.727 -11.675 -8.709 555 2HD2 LEU 62 2HD2 LEU 62 -18.756 -13.430 -8.395 556 3HD2 LEU 62 3HD2 LEU 62 -19.220 -12.276 -7.124 557 H SER 63 H SER 63 -15.755 -11.386 -4.113 558 HA SER 63 HA SER 63 -14.403 -9.323 -5.460 559 1HB SER 63 1HB SER 63 -15.240 -9.797 -2.643 560 2HB SER 63 2HB SER 63 -14.032 -8.536 -2.940 561 HG SER 63 HG SER 63 -16.418 -8.686 -4.483 562 H VAL 64 H VAL 64 -12.784 -12.077 -4.055 563 HA VAL 64 HA VAL 64 -10.134 -10.977 -3.901 564 HB VAL 64 HB VAL 64 -11.233 -13.673 -4.773 565 1HG1 VAL 64 1HG1 VAL 64 -8.436 -12.637 -5.143 566 2HG1 VAL 64 2HG1 VAL 64 -8.684 -14.347 -4.702 567 3HG1 VAL 64 3HG1 VAL 64 -9.401 -13.693 -6.168 568 1HG2 VAL 64 1HG2 VAL 64 -9.463 -12.759 -2.461 569 2HG2 VAL 64 2HG2 VAL 64 -11.158 -13.290 -2.375 570 3HG2 VAL 64 3HG2 VAL 64 -9.906 -14.447 -2.798 571 H SER 65 H SER 65 -11.755 -12.368 -6.826 572 HA SER 65 HA SER 65 -9.675 -11.047 -8.466 573 1HB SER 65 1HB SER 65 -10.742 -13.355 -8.964 574 2HB SER 65 2HB SER 65 -12.125 -12.432 -9.581 575 HG SER 65 HG SER 65 -10.495 -11.253 -10.856 576 H GLU 66 H GLU 66 -13.121 -10.625 -7.638 577 HA GLU 66 HA GLU 66 -13.672 -8.682 -9.657 578 1HB GLU 66 1HB GLU 66 -15.153 -9.966 -7.597 579 2HB GLU 66 2HB GLU 66 -15.267 -8.238 -7.266 580 1HG GLU 66 1HG GLU 66 -15.916 -7.909 -9.699 581 2HG GLU 66 2HG GLU 66 -15.968 -9.668 -9.855 582 H ALA 67 H ALA 67 -12.865 -8.100 -6.109 583 HA ALA 67 HA ALA 67 -13.023 -5.267 -6.615 584 1HB ALA 67 1HB ALA 67 -13.679 -6.349 -4.473 585 2HB ALA 67 2HB ALA 67 -11.946 -6.596 -4.153 586 3HB ALA 67 3HB ALA 67 -12.597 -4.957 -4.338 587 H ILE 68 H ILE 68 -10.409 -7.653 -6.711 588 HA ILE 68 HA ILE 68 -8.263 -5.707 -6.950 589 HB ILE 68 HB ILE 68 -8.464 -8.592 -7.875 590 1HG1 ILE 68 1HG1 ILE 68 -6.856 -7.154 -5.717 591 2HG1 ILE 68 2HG1 ILE 68 -8.326 -8.053 -5.398 592 1HG2 ILE 68 1HG2 ILE 68 -6.025 -8.441 -8.369 593 2HG2 ILE 68 2HG2 ILE 68 -6.933 -7.389 -9.429 594 3HG2 ILE 68 3HG2 ILE 68 -6.066 -6.694 -8.041 595 1HD1 ILE 68 1HD1 ILE 68 -5.675 -9.229 -6.326 596 2HD1 ILE 68 2HD1 ILE 68 -6.476 -9.423 -4.769 597 3HD1 ILE 68 3HD1 ILE 68 -7.185 -10.149 -6.220 598 H ALA 69 H ALA 69 -10.173 -7.509 -9.511 599 HA ALA 69 HA ALA 69 -9.076 -6.031 -11.661 600 1HB ALA 69 1HB ALA 69 -11.039 -6.810 -12.923 601 2HB ALA 69 2HB ALA 69 -10.336 -8.115 -11.950 602 3HB ALA 69 3HB ALA 69 -11.829 -7.311 -11.409 603 H GLN 70 H GLN 70 -11.974 -5.306 -9.662 604 HA GLN 70 HA GLN 70 -12.679 -2.834 -10.857 605 1HB GLN 70 1HB GLN 70 -12.991 -3.826 -8.035 606 2HB GLN 70 2HB GLN 70 -13.604 -2.270 -8.574 607 1HG GLN 70 1HG GLN 70 -15.119 -3.238 -10.133 608 2HG GLN 70 2HG GLN 70 -14.373 -4.828 -10.024 609 1HE2 GLN 70 1HE2 GLN 70 -15.976 -6.165 -9.122 610 2HE2 GLN 70 2HE2 GLN 70 -16.834 -5.720 -7.653 611 H VAL 71 H VAL 71 -10.587 -3.167 -7.812 612 HA VAL 71 HA VAL 71 -9.964 -0.413 -7.933 613 HB VAL 71 HB VAL 71 -9.698 -2.073 -5.985 614 1HG1 VAL 71 1HG1 VAL 71 -7.504 -2.914 -5.510 615 2HG1 VAL 71 2HG1 VAL 71 -7.968 -3.527 -7.099 616 3HG1 VAL 71 3HG1 VAL 71 -6.817 -2.181 -6.972 617 1HG2 VAL 71 1HG2 VAL 71 -9.324 0.318 -5.791 618 2HG2 VAL 71 2HG2 VAL 71 -8.106 -0.575 -4.870 619 3HG2 VAL 71 3HG2 VAL 71 -7.674 0.148 -6.430 620 H LYS 72 H LYS 72 -8.454 -3.020 -9.727 621 HA LYS 72 HA LYS 72 -6.245 -1.336 -10.692 622 1HB LYS 72 1HB LYS 72 -7.301 -4.068 -11.538 623 2HB LYS 72 2HB LYS 72 -5.916 -3.305 -12.283 624 1HG LYS 72 1HG LYS 72 -5.548 -3.262 -9.385 625 2HG LYS 72 2HG LYS 72 -6.021 -4.875 -9.891 626 1HD LYS 72 1HD LYS 72 -3.682 -4.831 -9.861 627 2HD LYS 72 2HD LYS 72 -4.138 -4.882 -11.561 628 1HE LYS 72 1HE LYS 72 -3.564 -2.247 -10.137 629 2HE LYS 72 2HE LYS 72 -2.236 -3.270 -10.687 630 1HZ LYS 72 1HZ LYS 72 -2.785 -1.636 -12.353 631 2HZ LYS 72 2HZ LYS 72 -3.130 -3.135 -12.935 632 3HZ LYS 72 3HZ LYS 72 -4.343 -2.140 -12.438 633 H THR 73 H THR 73 -9.501 -2.006 -11.876 634 HA THR 73 HA THR 73 -8.928 -0.601 -14.439 635 HB THR 73 HB THR 73 -10.242 -2.834 -14.171 636 HG1 THR 73 HG1 THR 73 -11.598 -2.099 -15.928 637 1HG2 THR 73 1HG2 THR 73 -12.590 -2.740 -13.922 638 2HG2 THR 73 2HG2 THR 73 -11.973 -1.792 -12.565 639 3HG2 THR 73 3HG2 THR 73 -12.628 -0.959 -13.980 640 H GLU 74 H GLU 74 -10.364 0.008 -11.347 641 HA GLU 74 HA GLU 74 -11.978 2.259 -11.815 642 1HB GLU 74 1HB GLU 74 -10.269 1.259 -9.524 643 2HB GLU 74 2HB GLU 74 -10.949 2.864 -9.422 644 1HG GLU 74 1HG GLU 74 -13.025 0.958 -10.235 645 2HG GLU 74 2HG GLU 74 -12.226 0.431 -8.757 646 HA PRO 75 HA PRO 75 -9.032 5.298 -13.015 647 1HB PRO 75 1HB PRO 75 -10.290 7.624 -12.485 648 2HB PRO 75 2HB PRO 75 -10.951 6.463 -13.672 649 1HG PRO 75 1HG PRO 75 -11.765 6.774 -10.755 650 2HG PRO 75 2HG PRO 75 -12.831 6.713 -12.197 651 1HD PRO 75 1HD PRO 75 -12.254 4.510 -10.660 652 2HD PRO 75 2HD PRO 75 -12.548 4.393 -12.422 653 HA PRO 76 HA PRO 76 -6.692 6.127 -9.362 654 1HB PRO 76 1HB PRO 76 -4.982 8.154 -10.137 655 2HB PRO 76 2HB PRO 76 -4.837 6.448 -10.656 656 1HG PRO 76 1HG PRO 76 -6.116 8.750 -12.150 657 2HG PRO 76 2HG PRO 76 -4.984 7.506 -12.776 658 1HD PRO 76 1HD PRO 76 -7.686 7.321 -13.120 659 2HD PRO 76 2HD PRO 76 -6.678 5.867 -12.843 660 H ARG 77 H ARG 77 -6.686 7.325 -7.556 661 HA ARG 77 HA ARG 77 -7.266 10.131 -7.408 662 1HB ARG 77 1HB ARG 77 -9.535 8.447 -7.295 663 2HB ARG 77 2HB ARG 77 -9.160 8.675 -5.613 664 1HG ARG 77 1HG ARG 77 -10.000 10.764 -5.607 665 2HG ARG 77 2HG ARG 77 -8.984 11.272 -6.952 666 1HD ARG 77 1HD ARG 77 -11.651 9.833 -7.182 667 2HD ARG 77 2HD ARG 77 -11.337 11.550 -7.516 668 HE ARG 77 HE ARG 77 -9.574 9.902 -9.085 669 1HH1 ARG 77 1HH1 ARG 77 -12.986 10.645 -9.038 670 2HH1 ARG 77 2HH1 ARG 77 -13.189 10.321 -10.742 671 1HH2 ARG 77 1HH2 ARG 77 -9.797 9.546 -11.120 672 2HH2 ARG 77 2HH2 ARG 77 -11.329 9.738 -11.968 673 H GLU 78 H GLU 78 -5.908 10.846 -5.906 674 HA GLU 78 HA GLU 78 -4.892 9.161 -3.696 675 1HB GLU 78 1HB GLU 78 -3.427 10.704 -5.152 676 2HB GLU 78 2HB GLU 78 -4.235 12.060 -4.355 677 1HG GLU 78 1HG GLU 78 -3.445 11.164 -2.143 678 2HG GLU 78 2HG GLU 78 -2.623 9.851 -2.990 Start of MODEL 13 1 1H GLY -2 1H GLY -2 5.969 19.277 9.377 2 2H GLY -2 2H GLY -2 5.310 20.281 8.252 3 3H GLY -2 3H GLY -2 4.359 19.223 9.098 4 1HA GLY -2 1HA GLY -2 4.653 18.225 6.958 5 2HA GLY -2 2HA GLY -2 6.381 18.571 7.065 6 H SER -1 H SER -1 4.912 15.864 6.762 7 HA SER -1 HA SER -1 6.713 14.265 8.129 8 1HB SER -1 1HB SER -1 4.084 14.658 9.607 9 2HB SER -1 2HB SER -1 4.951 13.116 9.704 10 HG SER -1 HG SER -1 6.166 15.615 10.199 11 H HIS 0 H HIS 0 6.025 11.805 8.059 12 HA HIS 0 HA HIS 0 3.713 11.063 6.523 13 1HB HIS 0 1HB HIS 0 4.534 10.423 4.510 14 2HB HIS 0 2HB HIS 0 5.632 11.740 4.807 15 HD1 HIS 0 HD1 HIS 0 5.551 7.909 4.580 16 HD2 HIS 0 HD2 HIS 0 8.245 11.120 5.145 17 HE1 HIS 0 HE1 HIS 0 7.914 6.927 4.322 18 HE2 HIS 0 HE2 HIS 0 9.552 8.892 4.650 19 H MET 1 H MET 1 3.688 8.520 6.148 20 HA MET 1 HA MET 1 5.511 6.891 7.775 21 1HB MET 1 1HB MET 1 2.669 7.459 8.571 22 2HB MET 1 2HB MET 1 3.126 5.767 8.576 23 1HG MET 1 1HG MET 1 5.159 6.424 9.975 24 2HG MET 1 2HG MET 1 4.356 7.986 10.203 25 1HE MET 1 1HE MET 1 3.777 6.171 13.640 26 2HE MET 1 2HE MET 1 5.199 6.487 12.617 27 3HE MET 1 3HE MET 1 4.010 7.780 12.921 28 H THR 2 H THR 2 5.059 4.483 7.495 29 HA THR 2 HA THR 2 3.130 3.377 5.682 30 HB THR 2 HB THR 2 4.881 2.131 4.313 31 HG1 THR 2 HG1 THR 2 6.606 2.947 5.692 32 1HG2 THR 2 1HG2 THR 2 3.488 4.112 3.421 33 2HG2 THR 2 2HG2 THR 2 5.010 5.039 3.545 34 3HG2 THR 2 3HG2 THR 2 4.923 3.588 2.526 35 H LEU 3 H LEU 3 3.200 0.928 5.787 36 HA LEU 3 HA LEU 3 4.971 -0.281 7.835 37 1HB LEU 3 1HB LEU 3 1.969 -0.058 7.922 38 2HB LEU 3 2HB LEU 3 2.617 -1.607 8.335 39 HG LEU 3 HG LEU 3 2.207 -0.469 10.320 40 1HD1 LEU 3 1HD1 LEU 3 4.231 -1.885 10.296 41 2HD1 LEU 3 2HD1 LEU 3 5.225 -0.435 9.987 42 3HD1 LEU 3 3HD1 LEU 3 4.301 -0.581 11.486 43 1HD2 LEU 3 1HD2 LEU 3 2.333 1.868 9.449 44 2HD2 LEU 3 2HD2 LEU 3 3.078 1.605 11.037 45 3HD2 LEU 3 3HD2 LEU 3 4.106 1.766 9.614 46 H ARG 4 H ARG 4 4.363 -2.824 7.900 47 HA ARG 4 HA ARG 4 4.860 -3.844 5.162 48 1HB ARG 4 1HB ARG 4 5.118 -5.244 7.853 49 2HB ARG 4 2HB ARG 4 5.615 -5.929 6.319 50 1HG ARG 4 1HG ARG 4 6.924 -3.461 7.529 51 2HG ARG 4 2HG ARG 4 7.428 -5.119 7.843 52 1HD ARG 4 1HD ARG 4 7.790 -5.444 5.376 53 2HD ARG 4 2HD ARG 4 7.474 -3.716 5.160 54 HE ARG 4 HE ARG 4 9.459 -4.042 7.173 55 1HH1 ARG 4 1HH1 ARG 4 9.356 -4.513 3.701 56 2HH1 ARG 4 2HH1 ARG 4 10.992 -3.975 3.449 57 1HH2 ARG 4 1HH2 ARG 4 11.630 -3.648 6.871 58 2HH2 ARG 4 2HH2 ARG 4 12.290 -3.699 5.265 59 H ILE 5 H ILE 5 3.925 -5.935 4.468 60 HA ILE 5 HA ILE 5 1.152 -6.242 4.657 61 HB ILE 5 HB ILE 5 2.772 -7.431 3.059 62 1HG1 ILE 5 1HG1 ILE 5 1.269 -9.349 2.621 63 2HG1 ILE 5 2HG1 ILE 5 0.405 -9.026 4.116 64 1HG2 ILE 5 1HG2 ILE 5 2.636 -9.686 5.085 65 2HG2 ILE 5 2HG2 ILE 5 3.435 -9.689 3.511 66 3HG2 ILE 5 3HG2 ILE 5 4.081 -8.668 4.806 67 1HD1 ILE 5 1HD1 ILE 5 0.646 -6.897 1.959 68 2HD1 ILE 5 2HD1 ILE 5 -0.553 -8.188 1.850 69 3HD1 ILE 5 3HD1 ILE 5 -0.598 -7.080 3.222 70 H ARG 6 H ARG 6 3.482 -7.407 6.933 71 HA ARG 6 HA ARG 6 1.898 -9.271 8.390 72 1HB ARG 6 1HB ARG 6 4.481 -8.442 8.504 73 2HB ARG 6 2HB ARG 6 3.871 -7.515 9.854 74 1HG ARG 6 1HG ARG 6 3.783 -9.325 11.196 75 2HG ARG 6 2HG ARG 6 2.945 -10.314 10.015 76 1HD ARG 6 1HD ARG 6 5.822 -9.883 9.338 77 2HD ARG 6 2HD ARG 6 5.569 -10.631 10.900 78 HE ARG 6 HE ARG 6 4.977 -12.574 9.896 79 1HH1 ARG 6 1HH1 ARG 6 4.478 -10.156 7.437 80 2HH1 ARG 6 2HH1 ARG 6 4.152 -11.338 6.189 81 1HH2 ARG 6 1HH2 ARG 6 4.438 -14.046 8.313 82 2HH2 ARG 6 2HH2 ARG 6 4.097 -13.496 6.712 83 H THR 7 H THR 7 2.023 -5.745 8.563 84 HA THR 7 HA THR 7 0.212 -5.411 10.846 85 HB THR 7 HB THR 7 1.164 -3.534 8.655 86 HG1 THR 7 HG1 THR 7 2.436 -4.458 10.573 87 1HG2 THR 7 1HG2 THR 7 -0.979 -2.657 9.399 88 2HG2 THR 7 2HG2 THR 7 -0.522 -2.896 11.104 89 3HG2 THR 7 3HG2 THR 7 0.321 -1.699 10.102 90 H ILE 8 H ILE 8 -0.120 -5.402 7.283 91 HA ILE 8 HA ILE 8 -2.897 -4.704 7.215 92 HB ILE 8 HB ILE 8 -1.374 -6.377 5.182 93 1HG1 ILE 8 1HG1 ILE 8 -1.632 -3.345 5.357 94 2HG1 ILE 8 2HG1 ILE 8 -0.159 -4.239 5.687 95 1HG2 ILE 8 1HG2 ILE 8 -3.917 -6.266 4.982 96 2HG2 ILE 8 2HG2 ILE 8 -3.755 -4.510 4.777 97 3HG2 ILE 8 3HG2 ILE 8 -3.051 -5.634 3.594 98 1HD1 ILE 8 1HD1 ILE 8 0.109 -4.903 3.395 99 2HD1 ILE 8 2HD1 ILE 8 -1.468 -4.238 2.944 100 3HD1 ILE 8 3HD1 ILE 8 -0.173 -3.170 3.480 101 H ALA 9 H ALA 9 -1.252 -7.887 7.073 102 HA ALA 9 HA ALA 9 -3.562 -9.516 7.125 103 1HB ALA 9 1HB ALA 9 -2.054 -11.290 7.622 104 2HB ALA 9 2HB ALA 9 -1.165 -10.177 6.572 105 3HB ALA 9 3HB ALA 9 -0.842 -10.199 8.316 106 H ARG 10 H ARG 10 -1.550 -8.318 9.835 107 HA ARG 10 HA ARG 10 -2.803 -9.448 12.044 108 1HB ARG 10 1HB ARG 10 -1.246 -6.945 11.514 109 2HB ARG 10 2HB ARG 10 -2.085 -7.008 13.036 110 1HG ARG 10 1HG ARG 10 -0.436 -9.413 12.245 111 2HG ARG 10 2HG ARG 10 0.410 -7.950 12.748 112 1HD ARG 10 1HD ARG 10 -1.843 -9.121 14.409 113 2HD ARG 10 2HD ARG 10 -0.168 -9.681 14.576 114 HE ARG 10 HE ARG 10 0.183 -7.019 14.800 115 1HH1 ARG 10 1HH1 ARG 10 -2.141 -9.024 16.465 116 2HH1 ARG 10 2HH1 ARG 10 -2.098 -8.070 17.923 117 1HH2 ARG 10 1HH2 ARG 10 0.228 -5.811 16.678 118 2HH2 ARG 10 2HH2 ARG 10 -0.772 -6.271 18.018 119 H MET 11 H MET 11 -4.400 -7.154 9.995 120 HA MET 11 HA MET 11 -6.379 -6.179 11.815 121 1HB MET 11 1HB MET 11 -6.602 -7.036 8.904 122 2HB MET 11 2HB MET 11 -7.910 -6.275 9.811 123 1HG MET 11 1HG MET 11 -6.421 -4.289 10.215 124 2HG MET 11 2HG MET 11 -5.231 -5.033 9.137 125 1HE MET 11 1HE MET 11 -6.057 -2.138 7.676 126 2HE MET 11 2HE MET 11 -4.928 -3.501 7.470 127 3HE MET 11 3HE MET 11 -6.056 -3.077 6.168 128 H THR 12 H THR 12 -5.959 -9.426 10.443 129 HA THR 12 HA THR 12 -7.709 -10.461 12.536 130 HB THR 12 HB THR 12 -9.388 -9.757 10.837 131 HG1 THR 12 HG1 THR 12 -9.810 -11.441 12.269 132 1HG2 THR 12 1HG2 THR 12 -9.706 -11.438 8.905 133 2HG2 THR 12 2HG2 THR 12 -8.536 -10.124 8.708 134 3HG2 THR 12 3HG2 THR 12 -7.977 -11.771 9.071 135 H GLY 13 H GLY 13 -5.187 -11.057 10.275 136 1HA GLY 13 1HA GLY 13 -3.769 -12.826 10.057 137 2HA GLY 13 2HA GLY 13 -4.653 -13.716 11.296 138 H ILE 14 H ILE 14 -7.194 -13.954 10.174 139 HA ILE 14 HA ILE 14 -6.896 -16.130 8.470 140 HB ILE 14 HB ILE 14 -9.064 -16.472 8.585 141 1HG1 ILE 14 1HG1 ILE 14 -10.896 -14.637 8.516 142 2HG1 ILE 14 2HG1 ILE 14 -9.675 -13.609 7.791 143 1HG2 ILE 14 1HG2 ILE 14 -10.154 -15.562 10.509 144 2HG2 ILE 14 2HG2 ILE 14 -8.431 -15.683 10.866 145 3HG2 ILE 14 3HG2 ILE 14 -9.160 -14.104 10.474 146 1HD1 ILE 14 1HD1 ILE 14 -11.241 -14.851 6.209 147 2HD1 ILE 14 2HD1 ILE 14 -9.534 -15.124 5.856 148 3HD1 ILE 14 3HD1 ILE 14 -10.476 -16.363 6.714 149 H ARG 15 H ARG 15 -7.394 -12.800 7.483 150 HA ARG 15 HA ARG 15 -7.530 -13.237 4.656 151 1HB ARG 15 1HB ARG 15 -7.073 -10.887 4.400 152 2HB ARG 15 2HB ARG 15 -8.230 -11.124 5.710 153 1HG ARG 15 1HG ARG 15 -6.468 -10.725 7.392 154 2HG ARG 15 2HG ARG 15 -5.232 -10.709 6.135 155 1HD ARG 15 1HD ARG 15 -5.662 -8.456 6.727 156 2HD ARG 15 2HD ARG 15 -6.292 -8.727 5.094 157 HE ARG 15 HE ARG 15 -8.303 -9.092 7.168 158 1HH1 ARG 15 1HH1 ARG 15 -6.718 -6.651 5.267 159 2HH1 ARG 15 2HH1 ARG 15 -7.840 -5.407 5.740 160 1HH2 ARG 15 1HH2 ARG 15 -9.863 -7.515 7.577 161 2HH2 ARG 15 2HH2 ARG 15 -9.721 -5.968 6.807 162 H GLU 16 H GLU 16 -4.718 -13.607 6.723 163 HA GLU 16 HA GLU 16 -2.702 -12.745 4.883 164 1HB GLU 16 1HB GLU 16 -2.517 -13.416 7.396 165 2HB GLU 16 2HB GLU 16 -2.432 -15.073 6.794 166 1HG GLU 16 1HG GLU 16 -0.521 -14.118 5.232 167 2HG GLU 16 2HG GLU 16 -0.505 -12.758 6.358 168 H ALA 17 H ALA 17 -4.461 -15.805 5.235 169 HA ALA 17 HA ALA 17 -3.072 -17.354 3.269 170 1HB ALA 17 1HB ALA 17 -5.977 -17.438 4.211 171 2HB ALA 17 2HB ALA 17 -5.133 -18.727 3.328 172 3HB ALA 17 3HB ALA 17 -4.615 -18.290 4.970 173 H THR 18 H THR 18 -5.336 -14.716 2.960 174 HA THR 18 HA THR 18 -5.857 -15.224 0.096 175 HB THR 18 HB THR 18 -7.397 -14.083 2.132 176 HG1 THR 18 HG1 THR 18 -8.234 -15.103 0.435 177 1HG2 THR 18 1HG2 THR 18 -6.526 -11.827 1.986 178 2HG2 THR 18 2HG2 THR 18 -6.537 -11.896 0.233 179 3HG2 THR 18 3HG2 THR 18 -8.068 -11.884 1.129 180 H LEU 19 H LEU 19 -4.252 -12.782 2.173 181 HA LEU 19 HA LEU 19 -3.187 -11.128 0.141 182 1HB LEU 19 1HB LEU 19 -1.973 -11.891 2.827 183 2HB LEU 19 2HB LEU 19 -1.448 -10.539 1.841 184 HG LEU 19 HG LEU 19 -4.261 -10.745 3.003 185 1HD1 LEU 19 1HD1 LEU 19 -1.688 -9.928 4.236 186 2HD1 LEU 19 2HD1 LEU 19 -3.038 -8.820 4.497 187 3HD1 LEU 19 3HD1 LEU 19 -3.183 -10.519 4.962 188 1HD2 LEU 19 1HD2 LEU 19 -2.759 -8.482 1.669 189 2HD2 LEU 19 2HD2 LEU 19 -4.290 -9.243 1.196 190 3HD2 LEU 19 3HD2 LEU 19 -4.218 -8.263 2.660 191 H ARG 20 H ARG 20 -1.541 -13.890 1.760 192 HA ARG 20 HA ARG 20 0.764 -13.912 -0.023 193 1HB ARG 20 1HB ARG 20 -0.435 -15.980 1.848 194 2HB ARG 20 2HB ARG 20 1.072 -16.225 0.946 195 1HG ARG 20 1HG ARG 20 2.031 -14.197 2.053 196 2HG ARG 20 2HG ARG 20 0.599 -14.118 3.092 197 1HD ARG 20 1HD ARG 20 2.403 -16.583 2.854 198 2HD ARG 20 2HD ARG 20 2.632 -15.316 4.051 199 HE ARG 20 HE ARG 20 0.829 -16.056 5.303 200 1HH1 ARG 20 1HH1 ARG 20 0.700 -17.964 2.365 201 2HH1 ARG 20 2HH1 ARG 20 -0.546 -18.997 3.021 202 1HH2 ARG 20 1HH2 ARG 20 -0.528 -17.183 6.042 203 2HH2 ARG 20 2HH2 ARG 20 -1.311 -18.554 5.206 204 H ALA 21 H ALA 21 -2.432 -15.445 -0.233 205 HA ALA 21 HA ALA 21 -1.733 -17.190 -2.447 206 1HB ALA 21 1HB ALA 21 -3.795 -17.702 -1.414 207 2HB ALA 21 2HB ALA 21 -4.358 -16.022 -1.456 208 3HB ALA 21 3HB ALA 21 -4.242 -16.942 -2.953 209 H TRP 22 H TRP 22 -3.337 -13.933 -2.342 210 HA TRP 22 HA TRP 22 -3.349 -13.462 -5.093 211 1HB TRP 22 1HB TRP 22 -2.914 -11.401 -2.954 212 2HB TRP 22 2HB TRP 22 -3.519 -11.154 -4.603 213 HD1 TRP 22 HD1 TRP 22 -5.707 -13.662 -4.228 214 HE1 TRP 22 HE1 TRP 22 -7.884 -13.020 -3.013 215 HE3 TRP 22 HE3 TRP 22 -4.078 -9.520 -1.787 216 HZ2 TRP 22 HZ2 TRP 22 -8.847 -10.845 -1.391 217 HZ3 TRP 22 HZ3 TRP 22 -5.624 -8.152 -0.411 218 HH2 TRP 22 HH2 TRP 22 -8.003 -8.812 -0.173 219 H GLU 23 H GLU 23 -0.653 -12.839 -2.829 220 HA GLU 23 HA GLU 23 1.198 -11.526 -4.373 221 1HB GLU 23 1HB GLU 23 1.375 -12.697 -2.016 222 2HB GLU 23 2HB GLU 23 1.977 -14.072 -2.945 223 1HG GLU 23 1HG GLU 23 3.546 -12.086 -3.983 224 2HG GLU 23 2HG GLU 23 3.232 -11.414 -2.385 225 H ARG 24 H ARG 24 0.383 -14.991 -4.702 226 HA ARG 24 HA ARG 24 2.006 -15.143 -7.211 227 1HB ARG 24 1HB ARG 24 2.150 -16.816 -5.121 228 2HB ARG 24 2HB ARG 24 0.768 -17.572 -5.927 229 1HG ARG 24 1HG ARG 24 2.169 -17.650 -8.047 230 2HG ARG 24 2HG ARG 24 3.536 -17.027 -7.109 231 1HD ARG 24 1HD ARG 24 3.615 -19.010 -5.746 232 2HD ARG 24 2HD ARG 24 2.050 -19.572 -6.377 233 HE ARG 24 HE ARG 24 3.950 -19.183 -8.501 234 1HH1 ARG 24 1HH1 ARG 24 3.204 -21.515 -6.017 235 2HH1 ARG 24 2HH1 ARG 24 3.706 -22.884 -6.974 236 1HH2 ARG 24 1HH2 ARG 24 4.574 -20.947 -9.722 237 2HH2 ARG 24 2HH2 ARG 24 4.486 -22.543 -9.048 238 H ARG 25 H ARG 25 -1.241 -15.046 -6.141 239 HA ARG 25 HA ARG 25 -2.445 -16.301 -8.497 240 1HB ARG 25 1HB ARG 25 -3.181 -15.954 -5.906 241 2HB ARG 25 2HB ARG 25 -4.109 -14.666 -6.624 242 1HG ARG 25 1HG ARG 25 -5.405 -16.259 -7.903 243 2HG ARG 25 2HG ARG 25 -4.243 -17.562 -7.533 244 1HD ARG 25 1HD ARG 25 -4.713 -17.215 -5.092 245 2HD ARG 25 2HD ARG 25 -6.022 -16.105 -5.518 246 HE ARG 25 HE ARG 25 -6.823 -18.245 -6.870 247 1HH1 ARG 25 1HH1 ARG 25 -5.586 -18.192 -3.581 248 2HH1 ARG 25 2HH1 ARG 25 -6.357 -19.686 -3.144 249 1HH2 ARG 25 1HH2 ARG 25 -7.803 -20.175 -6.249 250 2HH2 ARG 25 2HH2 ARG 25 -7.605 -20.757 -4.624 251 H TYR 26 H TYR 26 -1.867 -12.963 -7.524 252 HA TYR 26 HA TYR 26 -2.694 -11.998 -10.222 253 1HB TYR 26 1HB TYR 26 -3.726 -10.642 -7.702 254 2HB TYR 26 2HB TYR 26 -4.104 -10.237 -9.368 255 HD1 TYR 26 HD1 TYR 26 -4.930 -12.293 -6.512 256 HD2 TYR 26 HD2 TYR 26 -5.521 -11.843 -10.754 257 HE1 TYR 26 HE1 TYR 26 -6.746 -13.995 -6.452 258 HE2 TYR 26 HE2 TYR 26 -7.417 -13.449 -10.668 259 HH TYR 26 HH TYR 26 -8.695 -14.757 -9.334 260 H GLY 27 H GLY 27 -1.097 -11.227 -7.117 261 1HA GLY 27 1HA GLY 27 0.934 -10.047 -6.929 262 2HA GLY 27 2HA GLY 27 0.609 -9.171 -8.424 263 H PHE 28 H PHE 28 -2.247 -9.101 -6.667 264 HA PHE 28 HA PHE 28 -1.696 -6.431 -5.499 265 1HB PHE 28 1HB PHE 28 -3.635 -6.465 -6.860 266 2HB PHE 28 2HB PHE 28 -4.196 -7.968 -6.168 267 HD1 PHE 28 HD1 PHE 28 -4.136 -4.319 -5.775 268 HD2 PHE 28 HD2 PHE 28 -5.221 -8.044 -3.886 269 HE1 PHE 28 HE1 PHE 28 -5.669 -3.111 -4.246 270 HE2 PHE 28 HE2 PHE 28 -6.823 -6.839 -2.434 271 HZ PHE 28 HZ PHE 28 -7.062 -4.367 -2.638 272 HA PRO 29 HA PRO 29 -2.043 -5.148 -3.743 273 1HB PRO 29 1HB PRO 29 -0.854 -4.476 -1.413 274 2HB PRO 29 2HB PRO 29 -2.587 -4.737 -1.633 275 1HG PRO 29 1HG PRO 29 -0.561 -6.696 -0.521 276 2HG PRO 29 2HG PRO 29 -2.131 -6.204 0.200 277 1HD PRO 29 1HD PRO 29 -1.881 -8.455 -1.346 278 2HD PRO 29 2HD PRO 29 -3.351 -7.431 -1.385 279 H ARG 30 H ARG 30 -0.333 -4.184 -4.617 280 HA ARG 30 HA ARG 30 1.994 -5.794 -5.237 281 1HB ARG 30 1HB ARG 30 2.675 -3.931 -6.667 282 2HB ARG 30 2HB ARG 30 1.036 -4.470 -6.985 283 1HG ARG 30 1HG ARG 30 0.975 -2.269 -5.044 284 2HG ARG 30 2HG ARG 30 1.972 -1.829 -6.425 285 1HD ARG 30 1HD ARG 30 0.067 -2.356 -7.937 286 2HD ARG 30 2HD ARG 30 -0.878 -2.903 -6.547 287 HE ARG 30 HE ARG 30 -1.350 -0.731 -5.978 288 1HH1 ARG 30 1HH1 ARG 30 1.362 -0.578 -8.171 289 2HH1 ARG 30 2HH1 ARG 30 1.367 1.167 -8.231 290 1HH2 ARG 30 1HH2 ARG 30 -1.319 1.517 -6.072 291 2HH2 ARG 30 2HH2 ARG 30 -0.149 2.320 -7.059 292 HA PRO 31 HA PRO 31 4.364 -4.208 -1.783 293 1HB PRO 31 1HB PRO 31 6.861 -5.098 -2.468 294 2HB PRO 31 2HB PRO 31 5.548 -6.165 -1.852 295 1HG PRO 31 1HG PRO 31 6.406 -5.748 -4.713 296 2HG PRO 31 2HG PRO 31 6.060 -7.287 -3.857 297 1HD PRO 31 1HD PRO 31 4.217 -6.020 -5.441 298 2HD PRO 31 2HD PRO 31 3.737 -6.947 -3.985 299 H LEU 32 H LEU 32 5.483 -2.299 -1.364 300 HA LEU 32 HA LEU 32 5.743 -0.392 -3.521 301 1HB LEU 32 1HB LEU 32 6.570 -0.452 -0.612 302 2HB LEU 32 2HB LEU 32 7.055 0.869 -1.628 303 HG LEU 32 HG LEU 32 4.831 0.841 -0.084 304 1HD1 LEU 32 1HD1 LEU 32 5.838 2.802 -1.154 305 2HD1 LEU 32 2HD1 LEU 32 5.101 2.346 -2.710 306 3HD1 LEU 32 3HD1 LEU 32 4.080 2.806 -1.331 307 1HD2 LEU 32 1HD2 LEU 32 2.794 0.751 -1.394 308 2HD2 LEU 32 2HD2 LEU 32 3.680 0.283 -2.850 309 3HD2 LEU 32 3HD2 LEU 32 3.580 -0.830 -1.476 310 H ARG 33 H ARG 33 7.558 0.461 -4.493 311 HA ARG 33 HA ARG 33 9.670 -1.422 -5.048 312 1HB ARG 33 1HB ARG 33 8.610 0.205 -6.702 313 2HB ARG 33 2HB ARG 33 9.542 1.488 -5.924 314 1HG ARG 33 1HG ARG 33 11.538 -0.352 -6.363 315 2HG ARG 33 2HG ARG 33 10.431 -0.805 -7.659 316 1HD ARG 33 1HD ARG 33 10.509 1.534 -8.524 317 2HD ARG 33 2HD ARG 33 11.519 1.998 -7.150 318 HE ARG 33 HE ARG 33 13.366 1.100 -8.150 319 1HH1 ARG 33 1HH1 ARG 33 10.624 -0.131 -9.927 320 2HH1 ARG 33 2HH1 ARG 33 11.602 -0.931 -11.128 321 1HH2 ARG 33 1HH2 ARG 33 14.607 0.060 -9.697 322 2HH2 ARG 33 2HH2 ARG 33 13.831 -0.806 -10.986 323 H SER 34 H SER 34 10.312 -1.602 -2.787 324 HA SER 34 HA SER 34 12.771 -0.034 -2.257 325 1HB SER 34 1HB SER 34 10.411 -0.172 -0.331 326 2HB SER 34 2HB SER 34 12.025 0.426 0.097 327 HG SER 34 HG SER 34 11.128 1.584 -2.194 328 H GLU 35 H GLU 35 13.652 -0.855 -0.031 329 HA GLU 35 HA GLU 35 14.458 -3.539 -0.295 330 1HB GLU 35 1HB GLU 35 15.394 -1.332 0.941 331 2HB GLU 35 2HB GLU 35 14.640 -2.082 2.338 332 1HG GLU 35 1HG GLU 35 16.707 -3.397 0.511 333 2HG GLU 35 2HG GLU 35 17.097 -2.555 2.009 334 H GLY 36 H GLY 36 14.251 -5.272 1.263 335 1HA GLY 36 1HA GLY 36 12.723 -6.231 3.029 336 2HA GLY 36 2HA GLY 36 11.398 -5.629 2.006 337 H ASN 37 H ASN 37 14.066 -7.926 2.190 338 HA ASN 37 HA ASN 37 13.392 -9.436 -0.173 339 1HB ASN 37 1HB ASN 37 15.570 -9.583 0.980 340 2HB ASN 37 2HB ASN 37 14.819 -10.303 2.403 341 1HD2 ASN 37 1HD2 ASN 37 14.508 -12.704 2.377 342 2HD2 ASN 37 2HD2 ASN 37 14.875 -13.504 0.854 343 H ASN 38 H ASN 38 12.908 -10.458 3.197 344 HA ASN 38 HA ASN 38 10.836 -12.371 2.487 345 1HB ASN 38 1HB ASN 38 11.265 -11.713 5.372 346 2HB ASN 38 2HB ASN 38 11.249 -13.271 4.560 347 1HD2 ASN 38 1HD2 ASN 38 13.247 -10.703 5.849 348 2HD2 ASN 38 2HD2 ASN 38 14.760 -11.461 5.343 349 H TYR 39 H TYR 39 10.916 -9.165 3.769 350 HA TYR 39 HA TYR 39 8.023 -9.135 4.498 351 1HB TYR 39 1HB TYR 39 9.846 -6.908 5.303 352 2HB TYR 39 2HB TYR 39 8.520 -7.630 6.184 353 HD1 TYR 39 HD1 TYR 39 8.951 -9.649 7.612 354 HD2 TYR 39 HD2 TYR 39 12.124 -7.624 5.501 355 HE1 TYR 39 HE1 TYR 39 10.629 -10.761 9.069 356 HE2 TYR 39 HE2 TYR 39 13.806 -8.732 6.973 357 HH TYR 39 HH TYR 39 12.880 -10.942 9.601 358 H ARG 40 H ARG 40 6.758 -7.411 3.561 359 HA ARG 40 HA ARG 40 8.192 -5.588 1.669 360 1HB ARG 40 1HB ARG 40 5.696 -7.252 1.203 361 2HB ARG 40 2HB ARG 40 6.069 -5.810 0.260 362 1HG ARG 40 1HG ARG 40 7.820 -8.314 0.463 363 2HG ARG 40 2HG ARG 40 6.796 -7.854 -0.896 364 1HD ARG 40 1HD ARG 40 8.211 -5.616 -0.847 365 2HD ARG 40 2HD ARG 40 9.369 -6.584 0.066 366 HE ARG 40 HE ARG 40 8.811 -8.138 -2.139 367 1HH1 ARG 40 1HH1 ARG 40 10.206 -4.957 -1.638 368 2HH1 ARG 40 2HH1 ARG 40 11.062 -4.939 -3.125 369 1HH2 ARG 40 1HH2 ARG 40 9.907 -8.103 -4.092 370 2HH2 ARG 40 2HH2 ARG 40 10.875 -6.720 -4.517 371 H VAL 41 H VAL 41 7.728 -3.550 1.764 372 HA VAL 41 HA VAL 41 5.846 -2.506 3.764 373 HB VAL 41 HB VAL 41 6.704 -0.267 2.780 374 1HG1 VAL 41 1HG1 VAL 41 7.243 -1.138 5.035 375 2HG1 VAL 41 2HG1 VAL 41 8.655 -1.974 4.344 376 3HG1 VAL 41 3HG1 VAL 41 8.564 -0.212 4.306 377 1HG2 VAL 41 1HG2 VAL 41 8.820 -0.190 1.729 378 2HG2 VAL 41 2HG2 VAL 41 9.136 -1.915 1.981 379 3HG2 VAL 41 3HG2 VAL 41 7.916 -1.400 0.805 380 H TYR 42 H TYR 42 4.189 -1.160 3.335 381 HA TYR 42 HA TYR 42 3.036 -1.028 0.605 382 1HB TYR 42 1HB TYR 42 1.923 -2.281 3.132 383 2HB TYR 42 2HB TYR 42 0.871 -1.710 1.839 384 HD1 TYR 42 HD1 TYR 42 0.966 -2.631 -0.418 385 HD2 TYR 42 HD2 TYR 42 3.228 -4.373 2.790 386 HE1 TYR 42 HE1 TYR 42 1.270 -4.648 -1.727 387 HE2 TYR 42 HE2 TYR 42 3.564 -6.452 1.393 388 HH TYR 42 HH TYR 42 1.875 -6.850 -1.755 389 H SER 43 H SER 43 1.180 0.463 0.460 390 HA SER 43 HA SER 43 1.499 2.800 2.256 391 1HB SER 43 1HB SER 43 0.499 4.061 0.363 392 2HB SER 43 2HB SER 43 2.055 3.318 -0.014 393 HG SER 43 HG SER 43 0.340 3.046 -1.637 394 H ARG 44 H ARG 44 -0.246 3.822 3.093 395 HA ARG 44 HA ARG 44 -2.466 2.269 3.967 396 1HB ARG 44 1HB ARG 44 -3.375 4.468 4.785 397 2HB ARG 44 2HB ARG 44 -1.814 3.978 5.413 398 1HG ARG 44 1HG ARG 44 -1.893 5.812 3.001 399 2HG ARG 44 2HG ARG 44 -2.303 6.457 4.575 400 1HD ARG 44 1HD ARG 44 0.175 4.858 4.697 401 2HD ARG 44 2HD ARG 44 0.295 6.133 3.491 402 HE ARG 44 HE ARG 44 0.296 6.427 6.352 403 1HH1 ARG 44 1HH1 ARG 44 -0.651 8.133 3.451 404 2HH1 ARG 44 2HH1 ARG 44 -0.705 9.690 4.222 405 1HH2 ARG 44 1HH2 ARG 44 0.155 8.436 7.353 406 2HH2 ARG 44 2HH2 ARG 44 -0.239 9.839 6.406 407 H GLU 45 H GLU 45 -2.217 4.494 1.298 408 HA GLU 45 HA GLU 45 -4.948 4.723 0.491 409 1HB GLU 45 1HB GLU 45 -3.781 5.161 -1.798 410 2HB GLU 45 2HB GLU 45 -3.512 6.296 -0.473 411 1HG GLU 45 1HG GLU 45 -1.331 5.546 -0.038 412 2HG GLU 45 2HG GLU 45 -1.584 4.005 -0.826 413 H GLU 46 H GLU 46 -2.376 2.472 -0.742 414 HA GLU 46 HA GLU 46 -4.299 1.018 -2.310 415 1HB GLU 46 1HB GLU 46 -2.527 -0.110 -3.164 416 2HB GLU 46 2HB GLU 46 -1.755 1.352 -2.636 417 1HG GLU 46 1HG GLU 46 -0.275 -0.365 -2.031 418 2HG GLU 46 2HG GLU 46 -1.021 0.127 -0.520 419 H VAL 47 H VAL 47 -2.930 0.527 0.942 420 HA VAL 47 HA VAL 47 -4.222 -1.860 1.646 421 HB VAL 47 HB VAL 47 -3.288 0.543 3.159 422 1HG1 VAL 47 1HG1 VAL 47 -5.272 0.078 4.478 423 2HG1 VAL 47 2HG1 VAL 47 -4.892 -1.661 4.497 424 3HG1 VAL 47 3HG1 VAL 47 -3.848 -0.495 5.339 425 1HG2 VAL 47 1HG2 VAL 47 -1.789 -1.330 2.424 426 2HG2 VAL 47 2HG2 VAL 47 -1.814 -1.092 4.182 427 3HG2 VAL 47 3HG2 VAL 47 -2.752 -2.416 3.443 428 H GLU 48 H GLU 48 -5.761 1.408 1.461 429 HA GLU 48 HA GLU 48 -8.199 0.726 2.745 430 1HB GLU 48 1HB GLU 48 -7.592 3.017 1.911 431 2HB GLU 48 2HB GLU 48 -7.897 2.439 0.263 432 1HG GLU 48 1HG GLU 48 -9.919 3.413 0.670 433 2HG GLU 48 2HG GLU 48 -10.279 1.772 1.189 434 H ALA 49 H ALA 49 -7.260 0.240 -0.684 435 HA ALA 49 HA ALA 49 -9.674 -1.026 -1.545 436 1HB ALA 49 1HB ALA 49 -6.833 -1.473 -2.569 437 2HB ALA 49 2HB ALA 49 -8.346 -1.883 -3.392 438 3HB ALA 49 3HB ALA 49 -7.931 -0.177 -3.089 439 H VAL 50 H VAL 50 -6.585 -2.466 -0.405 440 HA VAL 50 HA VAL 50 -7.348 -5.190 -0.409 441 HB VAL 50 HB VAL 50 -5.492 -3.776 1.546 442 1HG1 VAL 50 1HG1 VAL 50 -6.126 -6.664 1.090 443 2HG1 VAL 50 2HG1 VAL 50 -4.417 -6.240 1.294 444 3HG1 VAL 50 3HG1 VAL 50 -5.590 -5.825 2.552 445 1HG2 VAL 50 1HG2 VAL 50 -4.729 -5.241 -0.988 446 2HG2 VAL 50 2HG2 VAL 50 -4.910 -3.480 -0.914 447 3HG2 VAL 50 3HG2 VAL 50 -3.718 -4.252 0.108 448 H ARG 51 H ARG 51 -7.675 -2.815 2.198 449 HA ARG 51 HA ARG 51 -8.818 -4.506 4.179 450 1HB ARG 51 1HB ARG 51 -7.735 -2.273 4.492 451 2HB ARG 51 2HB ARG 51 -9.125 -1.486 3.767 452 1HG ARG 51 1HG ARG 51 -9.426 -3.300 6.180 453 2HG ARG 51 2HG ARG 51 -8.821 -1.660 6.382 454 1HD ARG 51 1HD ARG 51 -11.501 -2.313 5.087 455 2HD ARG 51 2HD ARG 51 -11.251 -1.950 6.795 456 HE ARG 51 HE ARG 51 -10.268 0.127 4.903 457 1HH1 ARG 51 1HH1 ARG 51 -12.887 -0.844 6.982 458 2HH1 ARG 51 2HH1 ARG 51 -13.541 0.797 7.070 459 1HH2 ARG 51 1HH2 ARG 51 -11.153 2.060 4.979 460 2HH2 ARG 51 2HH2 ARG 51 -12.545 2.490 5.998 461 H ARG 52 H ARG 52 -10.340 -2.493 1.673 462 HA ARG 52 HA ARG 52 -13.027 -3.316 2.309 463 1HB ARG 52 1HB ARG 52 -11.943 -1.385 0.706 464 2HB ARG 52 2HB ARG 52 -12.371 -2.551 -0.535 465 1HG ARG 52 1HG ARG 52 -14.657 -2.308 -0.166 466 2HG ARG 52 2HG ARG 52 -14.463 -2.001 1.553 467 1HD ARG 52 1HD ARG 52 -14.940 0.123 1.116 468 2HD ARG 52 2HD ARG 52 -13.272 0.262 0.610 469 HE ARG 52 HE ARG 52 -13.973 0.549 -1.572 470 1HH1 ARG 52 1HH1 ARG 52 -16.649 -0.840 0.176 471 2HH1 ARG 52 2HH1 ARG 52 -17.806 -0.551 -1.098 472 1HH2 ARG 52 1HH2 ARG 52 -15.472 0.901 -3.220 473 2HH2 ARG 52 2HH2 ARG 52 -17.123 0.426 -2.992 474 H VAL 53 H VAL 53 -10.798 -4.453 -0.230 475 HA VAL 53 HA VAL 53 -12.290 -6.550 -1.317 476 HB VAL 53 HB VAL 53 -9.275 -6.443 -0.923 477 1HG1 VAL 53 1HG1 VAL 53 -9.875 -8.695 -1.387 478 2HG1 VAL 53 2HG1 VAL 53 -10.998 -8.236 -2.661 479 3HG1 VAL 53 3HG1 VAL 53 -9.244 -8.028 -2.881 480 1HG2 VAL 53 1HG2 VAL 53 -9.323 -4.837 -2.502 481 2HG2 VAL 53 2HG2 VAL 53 -9.900 -6.019 -3.648 482 3HG2 VAL 53 3HG2 VAL 53 -11.061 -5.013 -2.762 483 H ALA 54 H ALA 54 -9.914 -6.952 1.410 484 HA ALA 54 HA ALA 54 -10.512 -9.615 2.033 485 1HB ALA 54 1HB ALA 54 -9.620 -9.036 4.280 486 2HB ALA 54 2HB ALA 54 -8.624 -8.374 2.964 487 3HB ALA 54 3HB ALA 54 -9.734 -7.310 3.859 488 H ARG 55 H ARG 55 -12.275 -6.692 3.202 489 HA ARG 55 HA ARG 55 -14.092 -8.212 4.885 490 1HB ARG 55 1HB ARG 55 -13.489 -5.633 4.891 491 2HB ARG 55 2HB ARG 55 -14.777 -5.517 3.685 492 1HG ARG 55 1HG ARG 55 -16.206 -6.869 5.458 493 2HG ARG 55 2HG ARG 55 -14.901 -6.456 6.575 494 1HD ARG 55 1HD ARG 55 -16.385 -4.714 6.934 495 2HD ARG 55 2HD ARG 55 -15.294 -3.995 5.735 496 HE ARG 55 HE ARG 55 -17.586 -5.382 4.564 497 1HH1 ARG 55 1HH1 ARG 55 -16.656 -2.303 5.906 498 2HH1 ARG 55 2HH1 ARG 55 -18.003 -1.447 5.196 499 1HH2 ARG 55 1HH2 ARG 55 -19.317 -4.292 3.684 500 2HH2 ARG 55 2HH2 ARG 55 -19.511 -2.593 3.983 501 H LEU 56 H LEU 56 -14.251 -7.054 1.542 502 HA LEU 56 HA LEU 56 -16.896 -8.005 0.916 503 1HB LEU 56 1HB LEU 56 -14.582 -6.785 -0.441 504 2HB LEU 56 2HB LEU 56 -15.331 -7.990 -1.433 505 HG LEU 56 HG LEU 56 -17.039 -5.906 -0.059 506 1HD1 LEU 56 1HD1 LEU 56 -15.311 -4.624 -1.206 507 2HD1 LEU 56 2HD1 LEU 56 -15.549 -5.555 -2.699 508 3HD1 LEU 56 3HD1 LEU 56 -16.840 -4.496 -2.093 509 1HD2 LEU 56 1HD2 LEU 56 -17.481 -7.055 -2.835 510 2HD2 LEU 56 2HD2 LEU 56 -17.908 -8.019 -1.398 511 3HD2 LEU 56 3HD2 LEU 56 -18.651 -6.442 -1.661 512 H ILE 57 H ILE 57 -13.689 -9.596 0.706 513 HA ILE 57 HA ILE 57 -14.588 -12.097 -0.355 514 HB ILE 57 HB ILE 57 -12.233 -11.277 1.338 515 1HG1 ILE 57 1HG1 ILE 57 -11.099 -12.658 -0.558 516 2HG1 ILE 57 2HG1 ILE 57 -12.661 -12.581 -1.384 517 1HG2 ILE 57 1HG2 ILE 57 -12.946 -14.197 0.875 518 2HG2 ILE 57 2HG2 ILE 57 -11.369 -13.594 1.426 519 3HG2 ILE 57 3HG2 ILE 57 -12.779 -13.375 2.445 520 1HD1 ILE 57 1HD1 ILE 57 -11.042 -10.232 -0.396 521 2HD1 ILE 57 2HD1 ILE 57 -11.018 -10.827 -2.052 522 3HD1 ILE 57 3HD1 ILE 57 -12.519 -10.141 -1.413 523 H GLN 58 H GLN 58 -14.719 -10.862 2.997 524 HA GLN 58 HA GLN 58 -15.667 -13.294 4.136 525 1HB GLN 58 1HB GLN 58 -15.282 -10.540 5.006 526 2HB GLN 58 2HB GLN 58 -16.846 -11.106 5.566 527 1HG GLN 58 1HG GLN 58 -14.106 -12.298 6.128 528 2HG GLN 58 2HG GLN 58 -15.197 -11.502 7.259 529 1HE2 GLN 58 1HE2 GLN 58 -14.309 -14.595 5.871 530 2HE2 GLN 58 2HE2 GLN 58 -15.658 -15.437 6.650 531 H GLU 59 H GLU 59 -17.367 -11.144 1.977 532 HA GLU 59 HA GLU 59 -20.015 -12.087 2.853 533 1HB GLU 59 1HB GLU 59 -19.354 -10.474 0.363 534 2HB GLU 59 2HB GLU 59 -20.912 -10.670 1.172 535 1HG GLU 59 1HG GLU 59 -19.758 -9.595 3.248 536 2HG GLU 59 2HG GLU 59 -18.471 -9.136 2.136 537 H GLU 60 H GLU 60 -17.685 -12.862 0.325 538 HA GLU 60 HA GLU 60 -19.085 -15.393 -0.177 539 1HB GLU 60 1HB GLU 60 -20.302 -14.104 -1.779 540 2HB GLU 60 2HB GLU 60 -18.835 -13.355 -2.429 541 1HG GLU 60 1HG GLU 60 -18.157 -15.306 -3.539 542 2HG GLU 60 2HG GLU 60 -19.110 -16.369 -2.506 543 H GLY 61 H GLY 61 -16.487 -13.333 -1.506 544 1HA GLY 61 1HA GLY 61 -14.140 -14.164 -1.207 545 2HA GLY 61 2HA GLY 61 -14.704 -15.759 -1.659 546 H LEU 62 H LEU 62 -16.491 -14.534 -3.808 547 HA LEU 62 HA LEU 62 -14.950 -14.568 -6.141 548 1HB LEU 62 1HB LEU 62 -17.272 -14.679 -6.385 549 2HB LEU 62 2HB LEU 62 -17.559 -13.333 -5.297 550 HG LEU 62 HG LEU 62 -16.776 -11.734 -7.002 551 1HD1 LEU 62 1HD1 LEU 62 -16.719 -14.156 -8.871 552 2HD1 LEU 62 2HD1 LEU 62 -16.605 -12.457 -9.370 553 3HD1 LEU 62 3HD1 LEU 62 -15.313 -13.176 -8.412 554 1HD2 LEU 62 1HD2 LEU 62 -18.760 -11.791 -8.330 555 2HD2 LEU 62 2HD2 LEU 62 -18.976 -13.538 -8.050 556 3HD2 LEU 62 3HD2 LEU 62 -19.174 -12.392 -6.711 557 H SER 63 H SER 63 -15.583 -11.780 -4.018 558 HA SER 63 HA SER 63 -14.232 -9.801 -5.455 559 1HB SER 63 1HB SER 63 -14.828 -10.156 -2.542 560 2HB SER 63 2HB SER 63 -13.806 -8.811 -3.098 561 HG SER 63 HG SER 63 -15.909 -8.112 -3.251 562 H VAL 64 H VAL 64 -12.643 -12.564 -4.106 563 HA VAL 64 HA VAL 64 -9.983 -11.474 -3.988 564 HB VAL 64 HB VAL 64 -11.070 -14.201 -4.789 565 1HG1 VAL 64 1HG1 VAL 64 -8.274 -13.148 -5.077 566 2HG1 VAL 64 2HG1 VAL 64 -8.558 -14.873 -4.699 567 3HG1 VAL 64 3HG1 VAL 64 -9.223 -14.161 -6.161 568 1HG2 VAL 64 1HG2 VAL 64 -9.612 -13.052 -2.379 569 2HG2 VAL 64 2HG2 VAL 64 -11.110 -13.986 -2.456 570 3HG2 VAL 64 3HG2 VAL 64 -9.582 -14.796 -2.726 571 H SER 65 H SER 65 -11.726 -12.879 -6.853 572 HA SER 65 HA SER 65 -9.654 -11.584 -8.532 573 1HB SER 65 1HB SER 65 -10.807 -13.898 -8.966 574 2HB SER 65 2HB SER 65 -12.086 -12.913 -9.708 575 HG SER 65 HG SER 65 -10.342 -11.900 -10.925 576 H GLU 66 H GLU 66 -13.113 -11.139 -7.700 577 HA GLU 66 HA GLU 66 -13.618 -9.219 -9.747 578 1HB GLU 66 1HB GLU 66 -15.276 -10.620 -8.288 579 2HB GLU 66 2HB GLU 66 -15.185 -9.265 -7.167 580 1HG GLU 66 1HG GLU 66 -16.935 -8.521 -8.382 581 2HG GLU 66 2HG GLU 66 -15.659 -7.839 -9.385 582 H ALA 67 H ALA 67 -12.885 -8.620 -6.184 583 HA ALA 67 HA ALA 67 -13.153 -5.774 -6.656 584 1HB ALA 67 1HB ALA 67 -12.668 -5.469 -4.369 585 2HB ALA 67 2HB ALA 67 -13.765 -6.848 -4.514 586 3HB ALA 67 3HB ALA 67 -12.031 -7.115 -4.209 587 H ILE 68 H ILE 68 -10.486 -8.083 -6.724 588 HA ILE 68 HA ILE 68 -8.362 -6.118 -6.978 589 HB ILE 68 HB ILE 68 -8.540 -9.011 -7.903 590 1HG1 ILE 68 1HG1 ILE 68 -7.066 -7.566 -5.663 591 2HG1 ILE 68 2HG1 ILE 68 -8.494 -8.544 -5.437 592 1HG2 ILE 68 1HG2 ILE 68 -6.187 -7.062 -8.042 593 2HG2 ILE 68 2HG2 ILE 68 -6.060 -8.821 -8.274 594 3HG2 ILE 68 3HG2 ILE 68 -6.987 -7.868 -9.416 595 1HD1 ILE 68 1HD1 ILE 68 -5.700 -9.515 -6.102 596 2HD1 ILE 68 2HD1 ILE 68 -6.749 -9.936 -4.745 597 3HD1 ILE 68 3HD1 ILE 68 -7.112 -10.530 -6.374 598 H ALA 69 H ALA 69 -10.270 -7.954 -9.512 599 HA ALA 69 HA ALA 69 -9.236 -6.463 -11.679 600 1HB ALA 69 1HB ALA 69 -11.211 -7.274 -12.905 601 2HB ALA 69 2HB ALA 69 -10.458 -8.564 -11.948 602 3HB ALA 69 3HB ALA 69 -11.958 -7.795 -11.378 603 H GLN 70 H GLN 70 -12.094 -5.729 -9.614 604 HA GLN 70 HA GLN 70 -12.856 -3.280 -10.823 605 1HB GLN 70 1HB GLN 70 -13.023 -4.214 -7.960 606 2HB GLN 70 2HB GLN 70 -13.637 -2.655 -8.484 607 1HG GLN 70 1HG GLN 70 -15.237 -3.635 -9.972 608 2HG GLN 70 2HG GLN 70 -14.556 -5.247 -9.781 609 1HE2 GLN 70 1HE2 GLN 70 -16.506 -6.248 -8.940 610 2HE2 GLN 70 2HE2 GLN 70 -17.124 -5.712 -7.375 611 H VAL 71 H VAL 71 -10.715 -3.507 -7.823 612 HA VAL 71 HA VAL 71 -10.107 -0.762 -8.035 613 HB VAL 71 HB VAL 71 -9.755 -2.291 -6.036 614 1HG1 VAL 71 1HG1 VAL 71 -6.954 -2.646 -7.166 615 2HG1 VAL 71 2HG1 VAL 71 -7.639 -3.281 -5.652 616 3HG1 VAL 71 3HG1 VAL 71 -8.212 -3.905 -7.193 617 1HG2 VAL 71 1HG2 VAL 71 -9.230 -0.070 -5.661 618 2HG2 VAL 71 2HG2 VAL 71 -7.667 -0.854 -5.336 619 3HG2 VAL 71 3HG2 VAL 71 -7.927 -0.027 -6.857 620 H LYS 72 H LYS 72 -8.532 -3.450 -9.735 621 HA LYS 72 HA LYS 72 -6.392 -1.748 -10.802 622 1HB LYS 72 1HB LYS 72 -7.413 -4.481 -11.695 623 2HB LYS 72 2HB LYS 72 -6.051 -3.601 -12.393 624 1HG LYS 72 1HG LYS 72 -5.388 -3.599 -9.699 625 2HG LYS 72 2HG LYS 72 -6.194 -5.150 -9.872 626 1HD LYS 72 1HD LYS 72 -3.703 -4.167 -11.288 627 2HD LYS 72 2HD LYS 72 -3.882 -5.503 -10.165 628 1HE LYS 72 1HE LYS 72 -3.740 -6.703 -12.073 629 2HE LYS 72 2HE LYS 72 -5.494 -6.508 -12.022 630 1HZ LYS 72 1HZ LYS 72 -3.845 -4.528 -13.441 631 2HZ LYS 72 2HZ LYS 72 -4.165 -5.962 -14.178 632 3HZ LYS 72 3HZ LYS 72 -5.396 -4.964 -13.740 633 H THR 73 H THR 73 -9.649 -2.586 -11.994 634 HA THR 73 HA THR 73 -9.123 -1.232 -14.568 635 HB THR 73 HB THR 73 -10.553 -3.344 -14.186 636 HG1 THR 73 HG1 THR 73 -11.957 -2.576 -15.884 637 1HG2 THR 73 1HG2 THR 73 -12.166 -2.065 -12.531 638 2HG2 THR 73 2HG2 THR 73 -12.895 -1.445 -14.011 639 3HG2 THR 73 3HG2 THR 73 -12.814 -3.200 -13.712 640 H GLU 74 H GLU 74 -10.477 -0.434 -11.453 641 HA GLU 74 HA GLU 74 -11.693 2.071 -12.156 642 1HB GLU 74 1HB GLU 74 -10.682 0.786 -9.592 643 2HB GLU 74 2HB GLU 74 -11.229 2.453 -9.598 644 1HG GLU 74 1HG GLU 74 -13.415 1.760 -10.547 645 2HG GLU 74 2HG GLU 74 -12.930 0.071 -10.442 646 HA PRO 75 HA PRO 75 -8.100 4.620 -12.425 647 1HB PRO 75 1HB PRO 75 -9.015 7.079 -11.573 648 2HB PRO 75 2HB PRO 75 -9.468 6.319 -13.129 649 1HG PRO 75 1HG PRO 75 -11.040 6.390 -10.549 650 2HG PRO 75 2HG PRO 75 -11.626 6.609 -12.228 651 1HD PRO 75 1HD PRO 75 -11.808 4.245 -10.816 652 2HD PRO 75 2HD PRO 75 -11.706 4.317 -12.599 653 HA PRO 76 HA PRO 76 -6.224 4.701 -8.330 654 1HB PRO 76 1HB PRO 76 -3.915 6.082 -8.816 655 2HB PRO 76 2HB PRO 76 -4.210 4.437 -9.457 656 1HG PRO 76 1HG PRO 76 -4.569 7.093 -10.877 657 2HG PRO 76 2HG PRO 76 -3.755 5.612 -11.478 658 1HD PRO 76 1HD PRO 76 -6.357 6.262 -12.096 659 2HD PRO 76 2HD PRO 76 -5.801 4.566 -11.947 660 H ARG 77 H ARG 77 -5.476 6.249 -6.631 661 HA ARG 77 HA ARG 77 -6.243 9.020 -6.852 662 1HB ARG 77 1HB ARG 77 -8.399 7.283 -6.497 663 2HB ARG 77 2HB ARG 77 -8.093 7.792 -4.852 664 1HG ARG 77 1HG ARG 77 -8.298 9.739 -7.188 665 2HG ARG 77 2HG ARG 77 -9.709 9.204 -6.277 666 1HD ARG 77 1HD ARG 77 -9.161 10.366 -4.381 667 2HD ARG 77 2HD ARG 77 -7.420 10.236 -4.648 668 HE ARG 77 HE ARG 77 -8.401 11.874 -6.697 669 1HH1 ARG 77 1HH1 ARG 77 -7.722 12.014 -3.322 670 2HH1 ARG 77 2HH1 ARG 77 -7.832 13.743 -3.186 671 1HH2 ARG 77 1HH2 ARG 77 -8.188 14.113 -6.625 672 2HH2 ARG 77 2HH2 ARG 77 -7.976 14.912 -5.094 673 H GLU 78 H GLU 78 -4.111 9.163 -6.154 674 HA GLU 78 HA GLU 78 -3.484 8.881 -3.322 675 1HB GLU 78 1HB GLU 78 -2.185 10.586 -5.492 676 2HB GLU 78 2HB GLU 78 -1.555 10.297 -3.872 677 1HG GLU 78 1HG GLU 78 -0.350 8.724 -4.972 678 2HG GLU 78 2HG GLU 78 -1.733 7.733 -4.539 Start of MODEL 14 1 1H GLY -2 1H GLY -2 2.099 16.922 5.528 2 2H GLY -2 2H GLY -2 2.216 18.419 6.176 3 3H GLY -2 3H GLY -2 1.469 17.229 7.019 4 1HA GLY -2 1HA GLY -2 4.344 17.423 6.379 5 2HA GLY -2 2HA GLY -2 3.596 17.607 7.962 6 H SER -1 H SER -1 2.741 14.849 5.629 7 HA SER -1 HA SER -1 4.230 13.043 7.373 8 1HB SER -1 1HB SER -1 1.515 12.061 7.354 9 2HB SER -1 2HB SER -1 2.596 12.391 8.706 10 HG SER -1 HG SER -1 0.779 13.627 8.954 11 H HIS 0 H HIS 0 3.909 10.731 6.833 12 HA HIS 0 HA HIS 0 2.727 9.747 4.429 13 1HB HIS 0 1HB HIS 0 4.905 9.047 3.351 14 2HB HIS 0 2HB HIS 0 4.578 10.765 3.267 15 HD1 HIS 0 HD1 HIS 0 6.378 12.348 4.278 16 HD2 HIS 0 HD2 HIS 0 6.828 8.278 5.279 17 HE1 HIS 0 HE1 HIS 0 8.648 12.143 5.520 18 HE2 HIS 0 HE2 HIS 0 8.908 9.647 6.109 19 H MET 1 H MET 1 3.191 7.244 4.308 20 HA MET 1 HA MET 1 4.679 6.014 6.462 21 1HB MET 1 1HB MET 1 2.364 6.858 7.421 22 2HB MET 1 2HB MET 1 1.688 5.480 6.566 23 1HG MET 1 1HG MET 1 3.049 3.948 7.874 24 2HG MET 1 2HG MET 1 3.993 5.278 8.552 25 1HE MET 1 1HE MET 1 3.323 6.795 10.458 26 2HE MET 1 2HE MET 1 1.949 7.474 9.554 27 3HE MET 1 3HE MET 1 1.713 6.869 11.205 28 H THR 2 H THR 2 4.441 3.533 6.423 29 HA THR 2 HA THR 2 3.052 2.280 4.198 30 HB THR 2 HB THR 2 4.882 0.993 3.340 31 HG1 THR 2 HG1 THR 2 6.414 2.301 5.297 32 1HG2 THR 2 1HG2 THR 2 5.911 3.851 3.375 33 2HG2 THR 2 2HG2 THR 2 6.313 2.570 2.221 34 3HG2 THR 2 3HG2 THR 2 4.665 3.223 2.268 35 H LEU 3 H LEU 3 2.919 -0.109 4.538 36 HA LEU 3 HA LEU 3 3.705 -1.094 7.255 37 1HB LEU 3 1HB LEU 3 0.914 -1.091 6.026 38 2HB LEU 3 2HB LEU 3 1.384 -2.263 7.222 39 HG LEU 3 HG LEU 3 0.164 -0.713 8.364 40 1HD1 LEU 3 1HD1 LEU 3 3.002 0.147 9.021 41 2HD1 LEU 3 2HD1 LEU 3 1.598 0.086 10.099 42 3HD1 LEU 3 3HD1 LEU 3 2.310 -1.419 9.487 43 1HD2 LEU 3 1HD2 LEU 3 1.817 1.677 7.571 44 2HD2 LEU 3 2HD2 LEU 3 0.363 1.174 6.678 45 3HD2 LEU 3 3HD2 LEU 3 0.265 1.608 8.396 46 H ARG 4 H ARG 4 3.659 -3.452 7.476 47 HA ARG 4 HA ARG 4 4.734 -4.734 5.034 48 1HB ARG 4 1HB ARG 4 4.632 -5.642 7.934 49 2HB ARG 4 2HB ARG 4 5.478 -6.506 6.648 50 1HG ARG 4 1HG ARG 4 7.148 -4.847 6.419 51 2HG ARG 4 2HG ARG 4 6.180 -3.623 7.227 52 1HD ARG 4 1HD ARG 4 6.406 -5.519 9.239 53 2HD ARG 4 2HD ARG 4 7.943 -5.693 8.404 54 HE ARG 4 HE ARG 4 8.574 -3.578 9.167 55 1HH1 ARG 4 1HH1 ARG 4 5.101 -3.871 9.731 56 2HH1 ARG 4 2HH1 ARG 4 5.021 -2.328 10.529 57 1HH2 ARG 4 1HH2 ARG 4 8.374 -1.591 10.182 58 2HH2 ARG 4 2HH2 ARG 4 6.830 -1.085 10.782 59 H ILE 5 H ILE 5 4.139 -6.878 4.340 60 HA ILE 5 HA ILE 5 1.429 -7.611 4.268 61 HB ILE 5 HB ILE 5 3.338 -8.534 2.898 62 1HG1 ILE 5 1HG1 ILE 5 1.144 -9.339 2.433 63 2HG1 ILE 5 2HG1 ILE 5 2.297 -10.648 2.337 64 1HG2 ILE 5 1HG2 ILE 5 4.497 -10.498 3.449 65 2HG2 ILE 5 2HG2 ILE 5 4.764 -9.350 4.762 66 3HG2 ILE 5 3HG2 ILE 5 3.631 -10.711 4.975 67 1HD1 ILE 5 1HD1 ILE 5 0.413 -11.607 3.319 68 2HD1 ILE 5 2HD1 ILE 5 1.449 -11.315 4.723 69 3HD1 ILE 5 3HD1 ILE 5 0.092 -10.218 4.347 70 H ARG 6 H ARG 6 3.776 -8.747 6.679 71 HA ARG 6 HA ARG 6 2.030 -10.232 8.349 72 1HB ARG 6 1HB ARG 6 4.557 -8.642 8.842 73 2HB ARG 6 2HB ARG 6 3.667 -9.305 10.218 74 1HG ARG 6 1HG ARG 6 3.941 -11.548 9.520 75 2HG ARG 6 2HG ARG 6 4.335 -11.088 7.865 76 1HD ARG 6 1HD ARG 6 6.334 -11.869 8.873 77 2HD ARG 6 2HD ARG 6 6.486 -10.123 8.626 78 HE ARG 6 HE ARG 6 5.548 -10.823 11.296 79 1HH1 ARG 6 1HH1 ARG 6 8.475 -10.592 9.391 80 2HH1 ARG 6 2HH1 ARG 6 9.514 -10.433 10.777 81 1HH2 ARG 6 1HH2 ARG 6 6.932 -10.645 13.082 82 2HH2 ARG 6 2HH2 ARG 6 8.637 -10.470 12.819 83 H THR 7 H THR 7 2.501 -6.654 8.370 84 HA THR 7 HA THR 7 0.656 -6.185 10.526 85 HB THR 7 HB THR 7 1.229 -4.250 8.273 86 HG1 THR 7 HG1 THR 7 2.685 -4.437 10.659 87 1HG2 THR 7 1HG2 THR 7 1.014 -3.396 11.146 88 2HG2 THR 7 2HG2 THR 7 0.398 -2.633 9.668 89 3HG2 THR 7 3HG2 THR 7 -0.481 -3.952 10.400 90 H ILE 8 H ILE 8 0.223 -6.191 6.921 91 HA ILE 8 HA ILE 8 -2.559 -5.479 7.027 92 HB ILE 8 HB ILE 8 -1.311 -7.271 4.899 93 1HG1 ILE 8 1HG1 ILE 8 -1.293 -4.262 5.247 94 2HG1 ILE 8 2HG1 ILE 8 0.050 -5.337 4.893 95 1HG2 ILE 8 1HG2 ILE 8 -3.739 -5.414 4.832 96 2HG2 ILE 8 2HG2 ILE 8 -3.170 -6.487 3.535 97 3HG2 ILE 8 3HG2 ILE 8 -3.835 -7.180 4.989 98 1HD1 ILE 8 1HD1 ILE 8 -2.147 -4.566 2.932 99 2HD1 ILE 8 2HD1 ILE 8 -0.477 -4.041 2.925 100 3HD1 ILE 8 3HD1 ILE 8 -0.856 -5.752 2.614 101 H ALA 9 H ALA 9 -1.015 -8.723 6.911 102 HA ALA 9 HA ALA 9 -3.440 -10.182 7.067 103 1HB ALA 9 1HB ALA 9 -2.113 -12.034 7.260 104 2HB ALA 9 2HB ALA 9 -0.996 -10.923 6.468 105 3HB ALA 9 3HB ALA 9 -0.846 -11.235 8.213 106 H ARG 10 H ARG 10 -1.302 -9.010 9.675 107 HA ARG 10 HA ARG 10 -2.512 -10.098 11.953 108 1HB ARG 10 1HB ARG 10 -0.958 -7.591 11.357 109 2HB ARG 10 2HB ARG 10 -1.704 -7.712 12.930 110 1HG ARG 10 1HG ARG 10 0.019 -9.975 11.866 111 2HG ARG 10 2HG ARG 10 0.734 -8.553 12.620 112 1HD ARG 10 1HD ARG 10 -1.489 -9.592 14.237 113 2HD ARG 10 2HD ARG 10 -0.297 -10.858 13.903 114 HE ARG 10 HE ARG 10 1.136 -8.559 14.683 115 1HH1 ARG 10 1HH1 ARG 10 -1.131 -10.730 16.202 116 2HH1 ARG 10 2HH1 ARG 10 -0.443 -10.543 17.792 117 1HH2 ARG 10 1HH2 ARG 10 2.016 -8.326 16.737 118 2HH2 ARG 10 2HH2 ARG 10 1.316 -9.191 18.069 119 H MET 11 H MET 11 -4.073 -7.829 9.877 120 HA MET 11 HA MET 11 -6.057 -6.727 11.599 121 1HB MET 11 1HB MET 11 -6.135 -7.813 8.759 122 2HB MET 11 2HB MET 11 -7.550 -7.105 9.521 123 1HG MET 11 1HG MET 11 -5.001 -5.506 9.518 124 2HG MET 11 2HG MET 11 -5.922 -5.656 8.029 125 1HE MET 11 1HE MET 11 -6.068 -3.564 11.616 126 2HE MET 11 2HE MET 11 -5.016 -3.368 10.192 127 3HE MET 11 3HE MET 11 -6.373 -2.253 10.457 128 H THR 12 H THR 12 -5.678 -10.061 10.434 129 HA THR 12 HA THR 12 -7.602 -11.034 12.424 130 HB THR 12 HB THR 12 -9.044 -10.100 10.566 131 HG1 THR 12 HG1 THR 12 -9.790 -11.731 11.972 132 1HG2 THR 12 1HG2 THR 12 -9.318 -11.265 8.528 133 2HG2 THR 12 2HG2 THR 12 -7.568 -10.943 8.678 134 3HG2 THR 12 3HG2 THR 12 -8.215 -12.559 9.013 135 H GLY 13 H GLY 13 -5.063 -11.734 10.178 136 1HA GLY 13 1HA GLY 13 -3.733 -13.557 9.958 137 2HA GLY 13 2HA GLY 13 -4.685 -14.430 11.162 138 H ILE 14 H ILE 14 -7.205 -14.498 9.969 139 HA ILE 14 HA ILE 14 -7.029 -16.624 8.169 140 HB ILE 14 HB ILE 14 -9.232 -16.788 8.189 141 1HG1 ILE 14 1HG1 ILE 14 -10.907 -14.830 8.281 142 2HG1 ILE 14 2HG1 ILE 14 -9.605 -13.816 7.694 143 1HG2 ILE 14 1HG2 ILE 14 -9.176 -14.603 10.291 144 2HG2 ILE 14 2HG2 ILE 14 -10.259 -15.992 10.187 145 3HG2 ILE 14 3HG2 ILE 14 -8.551 -16.255 10.540 146 1HD1 ILE 14 1HD1 ILE 14 -9.567 -15.016 5.585 147 2HD1 ILE 14 2HD1 ILE 14 -10.506 -16.363 6.267 148 3HD1 ILE 14 3HD1 ILE 14 -11.266 -14.789 5.994 149 H ARG 15 H ARG 15 -7.073 -13.236 7.411 150 HA ARG 15 HA ARG 15 -7.254 -13.485 4.530 151 1HB ARG 15 1HB ARG 15 -6.228 -11.237 6.310 152 2HB ARG 15 2HB ARG 15 -6.416 -11.107 4.556 153 1HG ARG 15 1HG ARG 15 -8.785 -11.329 4.653 154 2HG ARG 15 2HG ARG 15 -8.766 -11.853 6.330 155 1HD ARG 15 1HD ARG 15 -7.864 -9.602 7.001 156 2HD ARG 15 2HD ARG 15 -8.029 -9.070 5.330 157 HE ARG 15 HE ARG 15 -10.542 -10.012 5.905 158 1HH1 ARG 15 1HH1 ARG 15 -8.573 -7.644 7.554 159 2HH1 ARG 15 2HH1 ARG 15 -9.942 -6.784 8.204 160 1HH2 ARG 15 1HH2 ARG 15 -12.275 -8.860 6.681 161 2HH2 ARG 15 2HH2 ARG 15 -12.007 -7.470 7.689 162 H GLU 16 H GLU 16 -4.491 -14.144 6.673 163 HA GLU 16 HA GLU 16 -2.442 -13.262 4.893 164 1HB GLU 16 1HB GLU 16 -2.225 -14.128 7.344 165 2HB GLU 16 2HB GLU 16 -2.143 -15.717 6.655 166 1HG GLU 16 1HG GLU 16 -0.353 -13.742 5.290 167 2HG GLU 16 2HG GLU 16 -0.041 -13.844 7.002 168 H ALA 17 H ALA 17 -4.088 -16.379 5.144 169 HA ALA 17 HA ALA 17 -2.859 -17.773 3.025 170 1HB ALA 17 1HB ALA 17 -5.700 -17.883 4.135 171 2HB ALA 17 2HB ALA 17 -4.970 -19.111 3.079 172 3HB ALA 17 3HB ALA 17 -4.298 -18.824 4.695 173 H THR 18 H THR 18 -5.215 -15.128 2.849 174 HA THR 18 HA THR 18 -5.652 -15.679 -0.030 175 HB THR 18 HB THR 18 -7.521 -14.839 1.610 176 HG1 THR 18 HG1 THR 18 -7.116 -13.806 -0.982 177 1HG2 THR 18 1HG2 THR 18 -6.659 -12.596 2.227 178 2HG2 THR 18 2HG2 THR 18 -6.445 -12.189 0.524 179 3HG2 THR 18 3HG2 THR 18 -8.065 -12.460 1.186 180 H LEU 19 H LEU 19 -4.063 -13.274 2.069 181 HA LEU 19 HA LEU 19 -3.199 -11.495 -0.002 182 1HB LEU 19 1HB LEU 19 -1.936 -12.149 2.690 183 2HB LEU 19 2HB LEU 19 -1.542 -10.725 1.728 184 HG LEU 19 HG LEU 19 -4.386 -11.234 2.649 185 1HD1 LEU 19 1HD1 LEU 19 -2.728 -9.365 4.286 186 2HD1 LEU 19 2HD1 LEU 19 -4.093 -10.408 4.733 187 3HD1 LEU 19 3HD1 LEU 19 -2.476 -11.087 4.553 188 1HD2 LEU 19 1HD2 LEU 19 -3.084 -8.561 2.211 189 2HD2 LEU 19 2HD2 LEU 19 -3.809 -9.481 0.884 190 3HD2 LEU 19 3HD2 LEU 19 -4.809 -9.013 2.266 191 H ARG 20 H ARG 20 -1.488 -14.201 1.589 192 HA ARG 20 HA ARG 20 0.875 -14.150 -0.099 193 1HB ARG 20 1HB ARG 20 -0.393 -16.271 1.677 194 2HB ARG 20 2HB ARG 20 1.156 -16.497 0.891 195 1HG ARG 20 1HG ARG 20 0.811 -13.995 2.565 196 2HG ARG 20 2HG ARG 20 0.851 -15.549 3.369 197 1HD ARG 20 1HD ARG 20 3.029 -15.597 1.528 198 2HD ARG 20 2HD ARG 20 3.050 -13.990 2.287 199 HE ARG 20 HE ARG 20 2.641 -15.666 4.437 200 1HH1 ARG 20 1HH1 ARG 20 5.192 -15.391 2.057 201 2HH1 ARG 20 2HH1 ARG 20 6.395 -16.161 3.072 202 1HH2 ARG 20 1HH2 ARG 20 4.075 -16.754 5.608 203 2HH2 ARG 20 2HH2 ARG 20 5.738 -16.984 5.104 204 H ALA 21 H ALA 21 -2.271 -15.781 -0.410 205 HA ALA 21 HA ALA 21 -1.543 -17.284 -2.779 206 1HB ALA 21 1HB ALA 21 -3.546 -17.942 -1.673 207 2HB ALA 21 2HB ALA 21 -4.204 -16.296 -1.689 208 3HB ALA 21 3HB ALA 21 -4.050 -17.201 -3.201 209 H TRP 22 H TRP 22 -3.266 -14.094 -2.399 210 HA TRP 22 HA TRP 22 -3.434 -13.487 -5.107 211 1HB TRP 22 1HB TRP 22 -3.020 -11.498 -2.890 212 2HB TRP 22 2HB TRP 22 -3.655 -11.198 -4.512 213 HD1 TRP 22 HD1 TRP 22 -5.704 -13.857 -4.201 214 HE1 TRP 22 HE1 TRP 22 -7.943 -13.332 -3.034 215 HE3 TRP 22 HE3 TRP 22 -4.349 -9.622 -1.721 216 HZ2 TRP 22 HZ2 TRP 22 -8.967 -11.356 -1.186 217 HZ3 TRP 22 HZ3 TRP 22 -5.971 -8.398 -0.307 218 HH2 TRP 22 HH2 TRP 22 -8.288 -9.259 -0.021 219 H GLU 23 H GLU 23 -0.642 -12.861 -2.989 220 HA GLU 23 HA GLU 23 1.114 -11.441 -4.552 221 1HB GLU 23 1HB GLU 23 1.439 -12.583 -2.295 222 2HB GLU 23 2HB GLU 23 1.840 -14.054 -3.162 223 1HG GLU 23 1HG GLU 23 3.424 -11.686 -4.022 224 2HG GLU 23 2HG GLU 23 3.572 -12.065 -2.321 225 H ARG 24 H ARG 24 0.349 -14.884 -5.019 226 HA ARG 24 HA ARG 24 1.778 -14.911 -7.640 227 1HB ARG 24 1HB ARG 24 1.575 -16.763 -5.427 228 2HB ARG 24 2HB ARG 24 0.832 -17.530 -6.828 229 1HG ARG 24 1HG ARG 24 2.813 -17.316 -8.140 230 2HG ARG 24 2HG ARG 24 3.535 -16.156 -7.021 231 1HD ARG 24 1HD ARG 24 2.899 -18.668 -5.641 232 2HD ARG 24 2HD ARG 24 3.910 -18.951 -7.067 233 HE ARG 24 HE ARG 24 4.845 -16.707 -5.479 234 1HH1 ARG 24 1HH1 ARG 24 4.891 -20.206 -5.465 235 2HH1 ARG 24 2HH1 ARG 24 6.449 -20.316 -4.687 236 1HH2 ARG 24 1HH2 ARG 24 6.862 -16.865 -4.559 237 2HH2 ARG 24 2HH2 ARG 24 7.567 -18.422 -4.204 238 H ARG 25 H ARG 25 -1.385 -14.946 -6.352 239 HA ARG 25 HA ARG 25 -2.664 -16.160 -8.695 240 1HB ARG 25 1HB ARG 25 -3.253 -16.129 -6.088 241 2HB ARG 25 2HB ARG 25 -4.214 -14.734 -6.550 242 1HG ARG 25 1HG ARG 25 -5.556 -16.155 -8.043 243 2HG ARG 25 2HG ARG 25 -4.467 -17.530 -7.720 244 1HD ARG 25 1HD ARG 25 -4.963 -17.331 -5.281 245 2HD ARG 25 2HD ARG 25 -6.132 -16.052 -5.622 246 HE ARG 25 HE ARG 25 -6.848 -18.319 -7.157 247 1HH1 ARG 25 1HH1 ARG 25 -6.645 -17.510 -3.745 248 2HH1 ARG 25 2HH1 ARG 25 -7.830 -18.692 -3.276 249 1HH2 ARG 25 1HH2 ARG 25 -8.385 -19.834 -6.500 250 2HH2 ARG 25 2HH2 ARG 25 -8.785 -19.981 -4.818 251 H TYR 26 H TYR 26 -2.109 -12.864 -7.653 252 HA TYR 26 HA TYR 26 -3.175 -11.814 -10.232 253 1HB TYR 26 1HB TYR 26 -4.058 -10.603 -7.576 254 2HB TYR 26 2HB TYR 26 -4.515 -10.071 -9.187 255 HD1 TYR 26 HD1 TYR 26 -5.113 -12.445 -6.501 256 HD2 TYR 26 HD2 TYR 26 -6.097 -11.446 -10.575 257 HE1 TYR 26 HE1 TYR 26 -6.861 -14.202 -6.512 258 HE2 TYR 26 HE2 TYR 26 -7.932 -13.138 -10.546 259 HH TYR 26 HH TYR 26 -8.335 -15.402 -7.840 260 H GLY 27 H GLY 27 -1.526 -11.095 -7.162 261 1HA GLY 27 1HA GLY 27 0.614 -10.035 -7.120 262 2HA GLY 27 2HA GLY 27 0.110 -8.949 -8.416 263 H PHE 28 H PHE 28 -2.626 -8.821 -6.735 264 HA PHE 28 HA PHE 28 -1.864 -6.400 -5.260 265 1HB PHE 28 1HB PHE 28 -3.798 -6.270 -6.628 266 2HB PHE 28 2HB PHE 28 -4.450 -7.768 -5.997 267 HD1 PHE 28 HD1 PHE 28 -4.271 -4.150 -5.526 268 HD2 PHE 28 HD2 PHE 28 -5.456 -7.885 -3.705 269 HE1 PHE 28 HE1 PHE 28 -5.809 -2.939 -4.020 270 HE2 PHE 28 HE2 PHE 28 -7.010 -6.667 -2.221 271 HZ PHE 28 HZ PHE 28 -7.206 -4.194 -2.392 272 HA PRO 29 HA PRO 29 -1.901 -5.198 -3.432 273 1HB PRO 29 1HB PRO 29 -0.535 -4.855 -1.098 274 2HB PRO 29 2HB PRO 29 -2.291 -4.735 -1.266 275 1HG PRO 29 1HG PRO 29 -0.643 -7.082 -0.265 276 2HG PRO 29 2HG PRO 29 -2.148 -6.452 0.437 277 1HD PRO 29 1HD PRO 29 -2.003 -8.637 -1.254 278 2HD PRO 29 2HD PRO 29 -3.444 -7.594 -1.146 279 H ARG 30 H ARG 30 -0.031 -4.460 -4.272 280 HA ARG 30 HA ARG 30 1.950 -6.500 -4.908 281 1HB ARG 30 1HB ARG 30 0.705 -4.337 -6.307 282 2HB ARG 30 2HB ARG 30 2.391 -3.898 -6.168 283 1HG ARG 30 1HG ARG 30 2.315 -6.685 -6.980 284 2HG ARG 30 2HG ARG 30 1.090 -5.821 -7.904 285 1HD ARG 30 1HD ARG 30 3.063 -4.057 -8.217 286 2HD ARG 30 2HD ARG 30 4.083 -5.457 -7.830 287 HE ARG 30 HE ARG 30 2.386 -6.429 -9.756 288 1HH1 ARG 30 1HH1 ARG 30 4.505 -3.665 -9.688 289 2HH1 ARG 30 2HH1 ARG 30 4.553 -3.475 -11.419 290 1HH2 ARG 30 1HH2 ARG 30 2.449 -6.191 -11.997 291 2HH2 ARG 30 2HH2 ARG 30 3.409 -4.924 -12.701 292 HA PRO 31 HA PRO 31 4.732 -4.825 -1.892 293 1HB PRO 31 1HB PRO 31 7.092 -6.063 -2.622 294 2HB PRO 31 2HB PRO 31 5.745 -6.876 -1.765 295 1HG PRO 31 1HG PRO 31 6.389 -6.934 -4.718 296 2HG PRO 31 2HG PRO 31 5.901 -8.292 -3.653 297 1HD PRO 31 1HD PRO 31 4.155 -6.974 -5.305 298 2HD PRO 31 2HD PRO 31 3.642 -7.663 -3.737 299 H LEU 32 H LEU 32 5.929 -3.015 -1.736 300 HA LEU 32 HA LEU 32 5.861 -1.243 -3.914 301 1HB LEU 32 1HB LEU 32 7.181 -1.111 -1.183 302 2HB LEU 32 2HB LEU 32 7.215 0.259 -2.292 303 HG LEU 32 HG LEU 32 4.641 -1.029 -1.288 304 1HD1 LEU 32 1HD1 LEU 32 5.850 -0.010 0.580 305 2HD1 LEU 32 2HD1 LEU 32 6.137 1.467 -0.366 306 3HD1 LEU 32 3HD1 LEU 32 4.494 1.027 0.137 307 1HD2 LEU 32 1HD2 LEU 32 5.191 1.553 -2.813 308 2HD2 LEU 32 2HD2 LEU 32 4.265 0.143 -3.385 309 3HD2 LEU 32 3HD2 LEU 32 3.633 1.119 -2.073 310 H ARG 33 H ARG 33 8.973 -1.684 -2.251 311 HA ARG 33 HA ARG 33 10.418 -1.537 -4.847 312 1HB ARG 33 1HB ARG 33 11.383 -1.594 -1.948 313 2HB ARG 33 2HB ARG 33 12.472 -1.742 -3.327 314 1HG ARG 33 1HG ARG 33 11.566 0.464 -4.203 315 2HG ARG 33 2HG ARG 33 10.730 0.653 -2.648 316 1HD ARG 33 1HD ARG 33 12.981 0.376 -1.510 317 2HD ARG 33 2HD ARG 33 13.730 0.355 -3.119 318 HE ARG 33 HE ARG 33 12.043 2.685 -2.650 319 1HH1 ARG 33 1HH1 ARG 33 15.307 1.501 -2.226 320 2HH1 ARG 33 2HH1 ARG 33 15.987 3.092 -2.021 321 1HH2 ARG 33 1HH2 ARG 33 12.940 4.720 -2.350 322 2HH2 ARG 33 2HH2 ARG 33 14.649 4.876 -2.085 323 H SER 34 H SER 34 12.313 -3.159 -4.945 324 HA SER 34 HA SER 34 11.352 -5.884 -5.076 325 1HB SER 34 1HB SER 34 13.713 -6.244 -5.882 326 2HB SER 34 2HB SER 34 12.833 -5.000 -6.781 327 HG SER 34 HG SER 34 15.101 -4.574 -5.880 328 H GLU 35 H GLU 35 13.469 -7.404 -4.276 329 HA GLU 35 HA GLU 35 13.086 -7.607 -1.450 330 1HB GLU 35 1HB GLU 35 13.903 -9.322 -3.505 331 2HB GLU 35 2HB GLU 35 15.399 -9.055 -2.612 332 1HG GLU 35 1HG GLU 35 13.954 -9.554 -0.478 333 2HG GLU 35 2HG GLU 35 12.741 -10.150 -1.613 334 H GLY 36 H GLY 36 15.151 -8.087 -0.040 335 1HA GLY 36 1HA GLY 36 17.481 -7.186 0.359 336 2HA GLY 36 2HA GLY 36 16.814 -5.601 -0.056 337 H ASN 37 H ASN 37 17.667 -5.094 2.125 338 HA ASN 37 HA ASN 37 16.732 -6.209 4.535 339 1HB ASN 37 1HB ASN 37 17.416 -3.262 4.181 340 2HB ASN 37 2HB ASN 37 17.602 -4.259 5.621 341 1HD2 ASN 37 1HD2 ASN 37 19.273 -2.954 2.938 342 2HD2 ASN 37 2HD2 ASN 37 20.647 -4.054 3.087 343 H ASN 38 H ASN 38 15.204 -3.747 2.508 344 HA ASN 38 HA ASN 38 13.178 -3.050 4.484 345 1HB ASN 38 1HB ASN 38 14.171 -1.717 2.319 346 2HB ASN 38 2HB ASN 38 12.726 -2.407 1.586 347 1HD2 ASN 38 1HD2 ASN 38 10.658 -2.164 3.334 348 2HD2 ASN 38 2HD2 ASN 38 10.660 -0.505 3.965 349 H TYR 39 H TYR 39 12.123 -4.885 5.102 350 HA TYR 39 HA TYR 39 11.243 -7.026 3.602 351 1HB TYR 39 1HB TYR 39 9.429 -5.908 5.728 352 2HB TYR 39 2HB TYR 39 9.860 -7.580 5.417 353 HD1 TYR 39 HD1 TYR 39 12.684 -7.861 5.642 354 HD2 TYR 39 HD2 TYR 39 10.150 -5.080 7.753 355 HE1 TYR 39 HE1 TYR 39 14.399 -7.639 7.434 356 HE2 TYR 39 HE2 TYR 39 11.857 -4.880 9.547 357 HH TYR 39 HH TYR 39 14.018 -5.405 10.170 358 H ARG 40 H ARG 40 8.989 -7.644 2.971 359 HA ARG 40 HA ARG 40 7.898 -5.988 0.956 360 1HB ARG 40 1HB ARG 40 6.738 -8.390 2.396 361 2HB ARG 40 2HB ARG 40 5.941 -7.595 1.028 362 1HG ARG 40 1HG ARG 40 7.894 -8.034 -0.419 363 2HG ARG 40 2HG ARG 40 8.733 -8.811 0.942 364 1HD ARG 40 1HD ARG 40 6.522 -10.270 1.080 365 2HD ARG 40 2HD ARG 40 6.290 -9.720 -0.590 366 HE ARG 40 HE ARG 40 8.953 -10.758 -0.229 367 1HH1 ARG 40 1HH1 ARG 40 5.663 -11.811 -0.562 368 2HH1 ARG 40 2HH1 ARG 40 6.041 -13.217 -1.499 369 1HH2 ARG 40 1HH2 ARG 40 9.505 -12.798 -1.091 370 2HH2 ARG 40 2HH2 ARG 40 8.202 -13.890 -1.495 371 H VAL 41 H VAL 41 7.624 -4.022 1.810 372 HA VAL 41 HA VAL 41 5.250 -3.458 3.442 373 HB VAL 41 HB VAL 41 6.012 -1.068 3.230 374 1HG1 VAL 41 1HG1 VAL 41 8.015 -2.960 4.504 375 2HG1 VAL 41 2HG1 VAL 41 7.733 -1.253 4.908 376 3HG1 VAL 41 3HG1 VAL 41 6.467 -2.448 5.211 377 1HG2 VAL 41 1HG2 VAL 41 8.185 -0.499 2.469 378 2HG2 VAL 41 2HG2 VAL 41 8.659 -2.192 2.249 379 3HG2 VAL 41 3HG2 VAL 41 7.475 -1.465 1.163 380 H TYR 42 H TYR 42 3.760 -1.944 2.879 381 HA TYR 42 HA TYR 42 2.949 -1.647 0.031 382 1HB TYR 42 1HB TYR 42 1.385 -2.534 2.497 383 2HB TYR 42 2HB TYR 42 0.683 -2.239 0.914 384 HD1 TYR 42 HD1 TYR 42 1.719 -4.820 3.014 385 HD2 TYR 42 HD2 TYR 42 2.073 -3.501 -1.074 386 HE1 TYR 42 HE1 TYR 42 1.712 -7.188 2.214 387 HE2 TYR 42 HE2 TYR 42 2.292 -5.875 -1.781 388 HH TYR 42 HH TYR 42 1.574 -7.934 -1.216 389 H SER 43 H SER 43 1.464 0.108 -0.370 390 HA SER 43 HA SER 43 1.864 2.414 1.388 391 1HB SER 43 1HB SER 43 1.960 2.445 -1.129 392 2HB SER 43 2HB SER 43 0.229 2.093 -1.143 393 HG SER 43 HG SER 43 0.638 4.298 -1.315 394 H ARG 44 H ARG 44 -0.010 3.802 1.790 395 HA ARG 44 HA ARG 44 -2.099 2.553 3.396 396 1HB ARG 44 1HB ARG 44 -1.191 5.283 2.729 397 2HB ARG 44 2HB ARG 44 -2.939 5.185 2.778 398 1HG ARG 44 1HG ARG 44 -1.221 4.096 5.049 399 2HG ARG 44 2HG ARG 44 -1.671 5.792 4.920 400 1HD ARG 44 1HD ARG 44 -4.133 4.525 4.583 401 2HD ARG 44 2HD ARG 44 -3.310 3.471 5.744 402 HE ARG 44 HE ARG 44 -3.039 6.282 6.398 403 1HH1 ARG 44 1HH1 ARG 44 -5.381 3.717 6.684 404 2HH1 ARG 44 2HH1 ARG 44 -6.178 4.442 8.059 405 1HH2 ARG 44 1HH2 ARG 44 -4.092 7.210 8.119 406 2HH2 ARG 44 2HH2 ARG 44 -5.443 6.400 8.846 407 H GLU 45 H GLU 45 -2.012 3.776 0.065 408 HA GLU 45 HA GLU 45 -4.800 3.417 -0.535 409 1HB GLU 45 1HB GLU 45 -3.940 3.253 -2.936 410 2HB GLU 45 2HB GLU 45 -3.655 4.765 -2.062 411 1HG GLU 45 1HG GLU 45 -1.397 4.262 -1.630 412 2HG GLU 45 2HG GLU 45 -1.555 2.580 -2.148 413 H GLU 46 H GLU 46 -2.011 1.162 -1.180 414 HA GLU 46 HA GLU 46 -3.583 -1.051 -2.004 415 1HB GLU 46 1HB GLU 46 -0.953 -0.983 -0.461 416 2HB GLU 46 2HB GLU 46 -1.789 -2.472 -0.833 417 1HG GLU 46 1HG GLU 46 -0.366 -2.467 -2.576 418 2HG GLU 46 2HG GLU 46 -1.751 -1.679 -3.321 419 H VAL 47 H VAL 47 -2.483 -0.239 1.345 420 HA VAL 47 HA VAL 47 -3.872 -2.380 2.590 421 HB VAL 47 HB VAL 47 -3.023 0.330 3.666 422 1HG1 VAL 47 1HG1 VAL 47 -4.204 -2.054 5.166 423 2HG1 VAL 47 2HG1 VAL 47 -3.292 -0.741 5.945 424 3HG1 VAL 47 3HG1 VAL 47 -4.824 -0.388 5.139 425 1HG2 VAL 47 1HG2 VAL 47 -1.212 -0.945 4.671 426 2HG2 VAL 47 2HG2 VAL 47 -1.961 -2.468 4.167 427 3HG2 VAL 47 3HG2 VAL 47 -1.262 -1.385 2.958 428 H GLU 48 H GLU 48 -5.078 0.959 1.979 429 HA GLU 48 HA GLU 48 -7.631 0.638 3.180 430 1HB GLU 48 1HB GLU 48 -6.678 2.788 2.701 431 2HB GLU 48 2HB GLU 48 -6.687 2.482 0.958 432 1HG GLU 48 1HG GLU 48 -8.925 2.923 0.754 433 2HG GLU 48 2HG GLU 48 -9.339 2.150 2.283 434 H ALA 49 H ALA 49 -6.610 0.123 -0.254 435 HA ALA 49 HA ALA 49 -9.149 -0.873 -1.131 436 1HB ALA 49 1HB ALA 49 -7.857 -1.884 -2.950 437 2HB ALA 49 2HB ALA 49 -7.309 -0.224 -2.644 438 3HB ALA 49 3HB ALA 49 -6.336 -1.588 -2.071 439 H VAL 50 H VAL 50 -6.263 -2.690 0.042 440 HA VAL 50 HA VAL 50 -7.316 -5.271 -0.127 441 HB VAL 50 HB VAL 50 -5.243 -4.135 1.768 442 1HG1 VAL 50 1HG1 VAL 50 -6.159 -6.995 1.361 443 2HG1 VAL 50 2HG1 VAL 50 -4.486 -6.622 1.794 444 3HG1 VAL 50 3HG1 VAL 50 -5.805 -6.146 2.876 445 1HG2 VAL 50 1HG2 VAL 50 -4.893 -4.228 -0.836 446 2HG2 VAL 50 2HG2 VAL 50 -3.681 -4.851 0.279 447 3HG2 VAL 50 3HG2 VAL 50 -4.777 -5.967 -0.597 448 H ARG 51 H ARG 51 -7.371 -3.194 2.839 449 HA ARG 51 HA ARG 51 -8.743 -5.134 4.442 450 1HB ARG 51 1HB ARG 51 -9.274 -3.340 5.955 451 2HB ARG 51 2HB ARG 51 -7.633 -3.098 5.348 452 1HG ARG 51 1HG ARG 51 -8.464 -1.397 3.765 453 2HG ARG 51 2HG ARG 51 -10.110 -1.653 4.295 454 1HD ARG 51 1HD ARG 51 -8.456 -1.051 6.590 455 2HD ARG 51 2HD ARG 51 -8.207 0.167 5.326 456 HE ARG 51 HE ARG 51 -10.899 -0.071 5.307 457 1HH1 ARG 51 1HH1 ARG 51 -8.704 0.665 7.894 458 2HH1 ARG 51 2HH1 ARG 51 -9.904 1.497 8.854 459 1HH2 ARG 51 1HH2 ARG 51 -12.435 0.971 6.529 460 2HH2 ARG 51 2HH2 ARG 51 -12.003 1.668 8.060 461 H ARG 52 H ARG 52 -9.977 -2.810 2.108 462 HA ARG 52 HA ARG 52 -12.792 -3.170 2.716 463 1HB ARG 52 1HB ARG 52 -11.555 -1.170 1.526 464 2HB ARG 52 2HB ARG 52 -11.656 -2.173 0.078 465 1HG ARG 52 1HG ARG 52 -14.233 -2.338 0.850 466 2HG ARG 52 2HG ARG 52 -13.805 -0.854 1.701 467 1HD ARG 52 1HD ARG 52 -12.732 -0.500 -0.890 468 2HD ARG 52 2HD ARG 52 -14.241 -1.357 -1.190 469 HE ARG 52 HE ARG 52 -13.917 1.375 -0.552 470 1HH1 ARG 52 1HH1 ARG 52 -16.119 -1.199 0.294 471 2HH1 ARG 52 2HH1 ARG 52 -17.398 -0.114 0.776 472 1HH2 ARG 52 1HH2 ARG 52 -15.551 2.741 0.071 473 2HH2 ARG 52 2HH2 ARG 52 -17.061 2.104 0.644 474 H VAL 53 H VAL 53 -10.696 -4.216 0.045 475 HA VAL 53 HA VAL 53 -12.357 -6.043 -1.313 476 HB VAL 53 HB VAL 53 -9.344 -6.091 -0.847 477 1HG1 VAL 53 1HG1 VAL 53 -9.291 -7.524 -2.934 478 2HG1 VAL 53 2HG1 VAL 53 -9.881 -8.306 -1.477 479 3HG1 VAL 53 3HG1 VAL 53 -11.033 -7.763 -2.710 480 1HG2 VAL 53 1HG2 VAL 53 -11.126 -4.622 -2.714 481 2HG2 VAL 53 2HG2 VAL 53 -9.486 -4.270 -2.210 482 3HG2 VAL 53 3HG2 VAL 53 -9.749 -5.420 -3.499 483 H ALA 54 H ALA 54 -10.081 -6.810 1.385 484 HA ALA 54 HA ALA 54 -10.903 -9.480 1.714 485 1HB ALA 54 1HB ALA 54 -8.801 -8.414 2.525 486 2HB ALA 54 2HB ALA 54 -9.747 -7.621 3.809 487 3HB ALA 54 3HB ALA 54 -9.653 -9.402 3.707 488 H ARG 55 H ARG 55 -12.327 -6.524 3.238 489 HA ARG 55 HA ARG 55 -14.187 -8.091 4.856 490 1HB ARG 55 1HB ARG 55 -13.475 -5.680 5.302 491 2HB ARG 55 2HB ARG 55 -14.565 -5.197 3.988 492 1HG ARG 55 1HG ARG 55 -16.454 -6.359 5.235 493 2HG ARG 55 2HG ARG 55 -15.300 -6.772 6.503 494 1HD ARG 55 1HD ARG 55 -16.140 -4.914 7.468 495 2HD ARG 55 2HD ARG 55 -14.885 -4.116 6.503 496 HE ARG 55 HE ARG 55 -17.305 -4.339 4.980 497 1HH1 ARG 55 1HH1 ARG 55 -16.120 -2.534 7.723 498 2HH1 ARG 55 2HH1 ARG 55 -17.307 -1.266 7.563 499 1HH2 ARG 55 1HH2 ARG 55 -18.859 -2.725 4.823 500 2HH2 ARG 55 2HH2 ARG 55 -18.819 -1.381 5.920 501 H LEU 56 H LEU 56 -14.428 -6.568 1.620 502 HA LEU 56 HA LEU 56 -17.118 -7.420 1.071 503 1HB LEU 56 1HB LEU 56 -14.740 -6.480 -0.519 504 2HB LEU 56 2HB LEU 56 -15.895 -7.476 -1.351 505 HG LEU 56 HG LEU 56 -16.408 -5.272 -1.862 506 1HD1 LEU 56 1HD1 LEU 56 -18.324 -6.877 -1.371 507 2HD1 LEU 56 2HD1 LEU 56 -18.536 -6.013 0.162 508 3HD1 LEU 56 3HD1 LEU 56 -18.719 -5.152 -1.371 509 1HD2 LEU 56 1HD2 LEU 56 -16.643 -4.653 1.098 510 2HD2 LEU 56 2HD2 LEU 56 -15.387 -4.083 -0.028 511 3HD2 LEU 56 3HD2 LEU 56 -17.071 -3.564 -0.245 512 H ILE 57 H ILE 57 -13.996 -9.095 0.616 513 HA ILE 57 HA ILE 57 -15.006 -11.496 -0.502 514 HB ILE 57 HB ILE 57 -12.559 -10.687 0.983 515 1HG1 ILE 57 1HG1 ILE 57 -11.962 -12.490 -1.124 516 2HG1 ILE 57 2HG1 ILE 57 -13.307 -11.547 -1.737 517 1HG2 ILE 57 1HG2 ILE 57 -12.914 -12.720 2.232 518 2HG2 ILE 57 2HG2 ILE 57 -13.173 -13.643 0.729 519 3HG2 ILE 57 3HG2 ILE 57 -11.586 -12.937 1.098 520 1HD1 ILE 57 1HD1 ILE 57 -12.129 -9.538 -1.589 521 2HD1 ILE 57 2HD1 ILE 57 -10.901 -10.211 -0.472 522 3HD1 ILE 57 3HD1 ILE 57 -10.934 -10.683 -2.169 523 H GLN 58 H GLN 58 -15.169 -10.452 2.893 524 HA GLN 58 HA GLN 58 -16.038 -13.033 3.854 525 1HB GLN 58 1HB GLN 58 -15.754 -10.321 4.955 526 2HB GLN 58 2HB GLN 58 -17.251 -11.063 5.486 527 1HG GLN 58 1HG GLN 58 -14.423 -12.120 5.852 528 2HG GLN 58 2HG GLN 58 -15.508 -11.482 7.088 529 1HE2 GLN 58 1HE2 GLN 58 -14.448 -14.411 5.545 530 2HE2 GLN 58 2HE2 GLN 58 -15.768 -15.369 6.230 531 H GLU 59 H GLU 59 -17.684 -10.732 1.806 532 HA GLU 59 HA GLU 59 -20.340 -11.742 2.572 533 1HB GLU 59 1HB GLU 59 -19.680 -9.945 0.216 534 2HB GLU 59 2HB GLU 59 -21.230 -10.206 1.019 535 1HG GLU 59 1HG GLU 59 -19.966 -9.303 3.165 536 2HG GLU 59 2HG GLU 59 -18.825 -8.644 1.999 537 H GLU 60 H GLU 60 -18.095 -12.108 -0.153 538 HA GLU 60 HA GLU 60 -19.477 -14.662 -0.914 539 1HB GLU 60 1HB GLU 60 -19.366 -12.175 -2.594 540 2HB GLU 60 2HB GLU 60 -19.017 -13.690 -3.415 541 1HG GLU 60 1HG GLU 60 -21.138 -14.666 -2.582 542 2HG GLU 60 2HG GLU 60 -21.548 -13.113 -1.839 543 H GLY 61 H GLY 61 -16.513 -12.772 -1.127 544 1HA GLY 61 1HA GLY 61 -14.342 -13.630 -1.361 545 2HA GLY 61 2HA GLY 61 -14.991 -15.188 -1.841 546 H LEU 62 H LEU 62 -16.651 -14.048 -4.061 547 HA LEU 62 HA LEU 62 -14.913 -13.941 -6.286 548 1HB LEU 62 1HB LEU 62 -17.158 -14.271 -6.772 549 2HB LEU 62 2HB LEU 62 -17.700 -12.992 -5.695 550 HG LEU 62 HG LEU 62 -17.005 -11.273 -7.261 551 1HD1 LEU 62 1HD1 LEU 62 -15.305 -11.883 -8.718 552 2HD1 LEU 62 2HD1 LEU 62 -15.854 -13.568 -8.836 553 3HD1 LEU 62 3HD1 LEU 62 -16.658 -12.275 -9.751 554 1HD2 LEU 62 1HD2 LEU 62 -18.765 -11.597 -8.856 555 2HD2 LEU 62 2HD2 LEU 62 -18.731 -13.361 -8.618 556 3HD2 LEU 62 3HD2 LEU 62 -19.274 -12.284 -7.311 557 H SER 63 H SER 63 -15.837 -11.340 -4.112 558 HA SER 63 HA SER 63 -14.684 -9.138 -5.438 559 1HB SER 63 1HB SER 63 -15.721 -9.670 -2.791 560 2HB SER 63 2HB SER 63 -14.242 -8.703 -2.687 561 HG SER 63 HG SER 63 -16.511 -8.142 -4.324 562 H VAL 64 H VAL 64 -12.854 -11.843 -4.357 563 HA VAL 64 HA VAL 64 -10.256 -10.582 -4.283 564 HB VAL 64 HB VAL 64 -11.195 -13.234 -5.468 565 1HG1 VAL 64 1HG1 VAL 64 -9.161 -12.630 -6.636 566 2HG1 VAL 64 2HG1 VAL 64 -8.379 -12.119 -5.138 567 3HG1 VAL 64 3HG1 VAL 64 -8.769 -13.841 -5.425 568 1HG2 VAL 64 1HG2 VAL 64 -11.330 -13.241 -3.042 569 2HG2 VAL 64 2HG2 VAL 64 -9.949 -14.202 -3.515 570 3HG2 VAL 64 3HG2 VAL 64 -9.727 -12.542 -2.897 571 H SER 65 H SER 65 -11.726 -12.080 -7.215 572 HA SER 65 HA SER 65 -9.979 -10.441 -8.863 573 1HB SER 65 1HB SER 65 -11.010 -12.823 -9.330 574 2HB SER 65 2HB SER 65 -12.352 -11.883 -10.025 575 HG SER 65 HG SER 65 -10.653 -12.372 -11.535 576 H GLU 66 H GLU 66 -13.405 -10.271 -7.887 577 HA GLU 66 HA GLU 66 -14.135 -8.138 -9.670 578 1HB GLU 66 1HB GLU 66 -15.363 -9.629 -7.482 579 2HB GLU 66 2HB GLU 66 -15.759 -7.936 -7.351 580 1HG GLU 66 1HG GLU 66 -16.013 -9.113 -10.109 581 2HG GLU 66 2HG GLU 66 -17.111 -9.751 -8.899 582 H ALA 67 H ALA 67 -13.164 -7.821 -6.094 583 HA ALA 67 HA ALA 67 -13.344 -4.965 -6.463 584 1HB ALA 67 1HB ALA 67 -12.086 -6.353 -4.121 585 2HB ALA 67 2HB ALA 67 -12.776 -4.723 -4.225 586 3HB ALA 67 3HB ALA 67 -13.842 -6.129 -4.315 587 H ILE 68 H ILE 68 -10.669 -7.332 -6.745 588 HA ILE 68 HA ILE 68 -8.585 -5.327 -6.931 589 HB ILE 68 HB ILE 68 -8.723 -8.134 -8.093 590 1HG1 ILE 68 1HG1 ILE 68 -7.088 -6.998 -5.790 591 2HG1 ILE 68 2HG1 ILE 68 -8.636 -7.751 -5.523 592 1HG2 ILE 68 1HG2 ILE 68 -7.176 -6.827 -9.470 593 2HG2 ILE 68 2HG2 ILE 68 -6.420 -6.123 -8.024 594 3HG2 ILE 68 3HG2 ILE 68 -6.226 -7.844 -8.402 595 1HD1 ILE 68 1HD1 ILE 68 -6.976 -9.398 -5.035 596 2HD1 ILE 68 2HD1 ILE 68 -7.749 -9.887 -6.553 597 3HD1 ILE 68 3HD1 ILE 68 -6.145 -9.146 -6.577 598 H ALA 69 H ALA 69 -10.550 -6.986 -9.551 599 HA ALA 69 HA ALA 69 -9.518 -5.341 -11.622 600 1HB ALA 69 1HB ALA 69 -12.223 -6.726 -11.451 601 2HB ALA 69 2HB ALA 69 -11.442 -6.109 -12.923 602 3HB ALA 69 3HB ALA 69 -10.705 -7.454 -12.033 603 H GLN 70 H GLN 70 -12.412 -4.823 -9.509 604 HA GLN 70 HA GLN 70 -13.233 -2.341 -10.598 605 1HB GLN 70 1HB GLN 70 -13.368 -3.428 -7.797 606 2HB GLN 70 2HB GLN 70 -14.007 -1.847 -8.219 607 1HG GLN 70 1HG GLN 70 -15.651 -2.726 -9.680 608 2HG GLN 70 2HG GLN 70 -14.906 -4.325 -9.725 609 1HE2 GLN 70 1HE2 GLN 70 -16.817 -5.500 -8.934 610 2HE2 GLN 70 2HE2 GLN 70 -17.317 -5.228 -7.281 611 H VAL 71 H VAL 71 -11.048 -2.713 -7.652 612 HA VAL 71 HA VAL 71 -10.538 0.066 -7.656 613 HB VAL 71 HB VAL 71 -10.186 -1.667 -5.788 614 1HG1 VAL 71 1HG1 VAL 71 -7.324 -1.651 -6.837 615 2HG1 VAL 71 2HG1 VAL 71 -7.945 -2.442 -5.375 616 3HG1 VAL 71 3HG1 VAL 71 -8.439 -3.030 -6.965 617 1HG2 VAL 71 1HG2 VAL 71 -9.889 0.736 -5.526 618 2HG2 VAL 71 2HG2 VAL 71 -8.661 -0.157 -4.620 619 3HG2 VAL 71 3HG2 VAL 71 -8.230 0.628 -6.152 620 H LYS 72 H LYS 72 -8.956 -2.419 -9.569 621 HA LYS 72 HA LYS 72 -6.843 -0.606 -10.532 622 1HB LYS 72 1HB LYS 72 -7.809 -3.326 -11.515 623 2HB LYS 72 2HB LYS 72 -6.484 -2.407 -12.223 624 1HG LYS 72 1HG LYS 72 -5.867 -2.492 -9.457 625 2HG LYS 72 2HG LYS 72 -6.494 -4.094 -9.822 626 1HD LYS 72 1HD LYS 72 -4.154 -2.708 -11.172 627 2HD LYS 72 2HD LYS 72 -4.104 -4.078 -10.063 628 1HE LYS 72 1HE LYS 72 -4.138 -5.435 -11.845 629 2HE LYS 72 2HE LYS 72 -5.842 -5.006 -12.017 630 1HZ LYS 72 1HZ LYS 72 -5.145 -3.188 -13.489 631 2HZ LYS 72 2HZ LYS 72 -3.573 -3.632 -13.338 632 3HZ LYS 72 3HZ LYS 72 -4.644 -4.639 -14.078 633 H THR 73 H THR 73 -10.068 -1.528 -11.765 634 HA THR 73 HA THR 73 -9.632 -0.005 -14.260 635 HB THR 73 HB THR 73 -10.921 -2.237 -13.967 636 HG1 THR 73 HG1 THR 73 -12.345 -1.514 -15.659 637 1HG2 THR 73 1HG2 THR 73 -13.339 -0.431 -13.698 638 2HG2 THR 73 2HG2 THR 73 -13.227 -2.205 -13.568 639 3HG2 THR 73 3HG2 THR 73 -12.598 -1.175 -12.280 640 H GLU 74 H GLU 74 -10.902 0.598 -11.101 641 HA GLU 74 HA GLU 74 -12.498 2.876 -11.562 642 1HB GLU 74 1HB GLU 74 -10.947 1.708 -9.252 643 2HB GLU 74 2HB GLU 74 -11.391 3.392 -9.127 644 1HG GLU 74 1HG GLU 74 -13.792 2.698 -9.737 645 2HG GLU 74 2HG GLU 74 -13.288 1.039 -9.429 646 HA PRO 75 HA PRO 75 -9.735 6.075 -12.592 647 1HB PRO 75 1HB PRO 75 -10.748 8.308 -11.339 648 2HB PRO 75 2HB PRO 75 -11.505 7.497 -12.743 649 1HG PRO 75 1HG PRO 75 -12.225 7.244 -9.820 650 2HG PRO 75 2HG PRO 75 -13.313 7.361 -11.240 651 1HD PRO 75 1HD PRO 75 -12.648 5.004 -9.985 652 2HD PRO 75 2HD PRO 75 -13.085 5.096 -11.715 653 HA PRO 76 HA PRO 76 -6.828 5.980 -9.127 654 1HB PRO 76 1HB PRO 76 -4.649 7.156 -10.307 655 2HB PRO 76 2HB PRO 76 -5.183 5.489 -10.677 656 1HG PRO 76 1HG PRO 76 -5.772 8.025 -12.230 657 2HG PRO 76 2HG PRO 76 -5.214 6.443 -12.861 658 1HD PRO 76 1HD PRO 76 -7.840 7.197 -12.886 659 2HD PRO 76 2HD PRO 76 -7.359 5.492 -12.623 660 H ARG 77 H ARG 77 -6.310 7.365 -7.463 661 HA ARG 77 HA ARG 77 -6.181 10.242 -7.877 662 1HB ARG 77 1HB ARG 77 -8.693 9.374 -7.485 663 2HB ARG 77 2HB ARG 77 -8.191 9.281 -5.806 664 1HG ARG 77 1HG ARG 77 -9.288 11.394 -6.236 665 2HG ARG 77 2HG ARG 77 -7.577 11.730 -5.907 666 1HD ARG 77 1HD ARG 77 -7.111 12.079 -8.246 667 2HD ARG 77 2HD ARG 77 -8.662 11.368 -8.733 668 HE ARG 77 HE ARG 77 -9.196 13.618 -7.102 669 1HH1 ARG 77 1HH1 ARG 77 -7.834 12.957 -10.238 670 2HH1 ARG 77 2HH1 ARG 77 -8.327 14.477 -10.938 671 1HH2 ARG 77 1HH2 ARG 77 -9.869 15.570 -8.014 672 2HH2 ARG 77 2HH2 ARG 77 -9.481 15.932 -9.671 673 H GLU 78 H GLU 78 -4.530 10.993 -6.713 674 HA GLU 78 HA GLU 78 -3.760 9.731 -4.153 675 1HB GLU 78 1HB GLU 78 -2.520 8.984 -6.358 676 2HB GLU 78 2HB GLU 78 -1.739 10.560 -6.259 677 1HG GLU 78 1HG GLU 78 -0.866 9.987 -4.016 678 2HG GLU 78 2HG GLU 78 -1.729 8.445 -4.054 Start of MODEL 15 1 1H GLY -2 1H GLY -2 12.930 16.095 9.639 2 2H GLY -2 2H GLY -2 11.995 17.108 10.544 3 3H GLY -2 3H GLY -2 11.350 16.350 9.232 4 1HA GLY -2 1HA GLY -2 12.119 15.210 11.814 5 2HA GLY -2 2HA GLY -2 10.530 15.122 11.032 6 H SER -1 H SER -1 10.134 13.110 10.121 7 HA SER -1 HA SER -1 12.451 11.241 10.001 8 1HB SER -1 1HB SER -1 9.961 11.200 11.755 9 2HB SER -1 2HB SER -1 11.170 9.899 11.684 10 HG SER -1 HG SER -1 11.652 11.300 13.389 11 H HIS 0 H HIS 0 11.308 8.829 9.914 12 HA HIS 0 HA HIS 0 9.437 8.778 7.604 13 1HB HIS 0 1HB HIS 0 10.851 7.672 6.245 14 2HB HIS 0 2HB HIS 0 12.096 8.439 7.199 15 HD1 HIS 0 HD1 HIS 0 11.126 5.131 5.975 16 HD2 HIS 0 HD2 HIS 0 13.003 6.724 9.405 17 HE1 HIS 0 HE1 HIS 0 12.408 3.180 7.076 18 HE2 HIS 0 HE2 HIS 0 13.554 4.169 9.162 19 H MET 1 H MET 1 8.248 6.747 7.308 20 HA MET 1 HA MET 1 8.363 4.586 9.248 21 1HB MET 1 1HB MET 1 7.133 6.484 10.433 22 2HB MET 1 2HB MET 1 5.898 6.396 9.181 23 1HG MET 1 1HG MET 1 5.400 4.066 9.848 24 2HG MET 1 2HG MET 1 6.672 4.134 11.077 25 1HE MET 1 1HE MET 1 6.115 5.036 13.650 26 2HE MET 1 2HE MET 1 6.689 6.410 12.678 27 3HE MET 1 3HE MET 1 5.264 6.594 13.723 28 H THR 2 H THR 2 6.962 2.728 8.496 29 HA THR 2 HA THR 2 4.900 3.023 6.612 30 HB THR 2 HB THR 2 6.971 1.283 5.296 31 HG1 THR 2 HG1 THR 2 7.082 4.067 5.409 32 1HG2 THR 2 1HG2 THR 2 5.843 2.285 3.252 33 2HG2 THR 2 2HG2 THR 2 4.741 1.389 4.289 34 3HG2 THR 2 3HG2 THR 2 4.760 3.166 4.329 35 H LEU 3 H LEU 3 4.177 0.618 5.812 36 HA LEU 3 HA LEU 3 4.711 -1.399 7.935 37 1HB LEU 3 1HB LEU 3 2.004 -0.476 6.859 38 2HB LEU 3 2HB LEU 3 2.242 -1.950 7.755 39 HG LEU 3 HG LEU 3 1.348 -0.519 9.272 40 1HD1 LEU 3 1HD1 LEU 3 4.273 -0.196 9.983 41 2HD1 LEU 3 2HD1 LEU 3 2.880 -0.381 11.058 42 3HD1 LEU 3 3HD1 LEU 3 3.433 -1.747 10.071 43 1HD2 LEU 3 1HD2 LEU 3 2.467 1.646 7.851 44 2HD2 LEU 3 2HD2 LEU 3 1.333 1.667 9.203 45 3HD2 LEU 3 3HD2 LEU 3 3.070 1.768 9.516 46 H ARG 4 H ARG 4 3.997 -3.611 7.344 47 HA ARG 4 HA ARG 4 4.561 -4.164 4.458 48 1HB ARG 4 1HB ARG 4 5.377 -6.082 6.620 49 2HB ARG 4 2HB ARG 4 6.008 -5.872 4.987 50 1HG ARG 4 1HG ARG 4 6.956 -3.644 5.749 51 2HG ARG 4 2HG ARG 4 6.480 -4.079 7.401 52 1HD ARG 4 1HD ARG 4 7.934 -6.054 7.344 53 2HD ARG 4 2HD ARG 4 8.303 -5.760 5.640 54 HE ARG 4 HE ARG 4 9.814 -4.134 6.204 55 1HH1 ARG 4 1HH1 ARG 4 7.917 -4.714 9.076 56 2HH1 ARG 4 2HH1 ARG 4 8.858 -3.621 10.064 57 1HH2 ARG 4 1HH2 ARG 4 10.982 -2.702 7.489 58 2HH2 ARG 4 2HH2 ARG 4 10.587 -2.541 9.168 59 H ILE 5 H ILE 5 3.982 -6.535 3.817 60 HA ILE 5 HA ILE 5 1.220 -6.875 4.040 61 HB ILE 5 HB ILE 5 3.028 -7.948 2.411 62 1HG1 ILE 5 1HG1 ILE 5 0.609 -7.689 2.064 63 2HG1 ILE 5 2HG1 ILE 5 1.306 -9.114 1.326 64 1HG2 ILE 5 1HG2 ILE 5 3.990 -9.599 3.911 65 2HG2 ILE 5 2HG2 ILE 5 2.398 -10.382 4.098 66 3HG2 ILE 5 3HG2 ILE 5 3.193 -10.343 2.522 67 1HD1 ILE 5 1HD1 ILE 5 0.025 -9.522 4.012 68 2HD1 ILE 5 2HD1 ILE 5 -0.998 -9.159 2.635 69 3HD1 ILE 5 3HD1 ILE 5 0.102 -10.570 2.605 70 H ARG 6 H ARG 6 3.717 -8.501 5.954 71 HA ARG 6 HA ARG 6 2.157 -10.166 7.554 72 1HB ARG 6 1HB ARG 6 3.954 -10.247 9.044 73 2HB ARG 6 2HB ARG 6 4.704 -9.844 7.504 74 1HG ARG 6 1HG ARG 6 4.606 -7.368 8.305 75 2HG ARG 6 2HG ARG 6 4.167 -8.034 9.884 76 1HD ARG 6 1HD ARG 6 6.317 -9.495 9.600 77 2HD ARG 6 2HD ARG 6 6.763 -8.312 8.353 78 HE ARG 6 HE ARG 6 5.958 -6.913 10.692 79 1HH1 ARG 6 1HH1 ARG 6 8.620 -8.992 9.780 80 2HH1 ARG 6 2HH1 ARG 6 9.648 -8.442 11.073 81 1HH2 ARG 6 1HH2 ARG 6 7.276 -6.279 12.397 82 2HH2 ARG 6 2HH2 ARG 6 8.883 -6.916 12.514 83 H THR 7 H THR 7 2.448 -6.663 7.814 84 HA THR 7 HA THR 7 0.936 -6.404 10.287 85 HB THR 7 HB THR 7 1.676 -4.284 8.233 86 HG1 THR 7 HG1 THR 7 3.035 -4.871 10.618 87 1HG2 THR 7 1HG2 THR 7 1.430 -2.692 9.986 88 2HG2 THR 7 2HG2 THR 7 -0.051 -3.622 9.970 89 3HG2 THR 7 3HG2 THR 7 1.194 -3.927 11.214 90 H ILE 8 H ILE 8 0.274 -6.095 6.776 91 HA ILE 8 HA ILE 8 -2.457 -5.189 7.019 92 HB ILE 8 HB ILE 8 -1.276 -6.929 4.802 93 1HG1 ILE 8 1HG1 ILE 8 -1.471 -3.898 5.058 94 2HG1 ILE 8 2HG1 ILE 8 0.014 -4.833 5.094 95 1HG2 ILE 8 1HG2 ILE 8 -3.706 -5.075 4.784 96 2HG2 ILE 8 2HG2 ILE 8 -3.150 -6.123 3.461 97 3HG2 ILE 8 3HG2 ILE 8 -3.805 -6.841 4.914 98 1HD1 ILE 8 1HD1 ILE 8 -0.271 -5.517 2.764 99 2HD1 ILE 8 2HD1 ILE 8 -1.800 -4.607 2.661 100 3HD1 ILE 8 3HD1 ILE 8 -0.299 -3.751 2.957 101 H ALA 9 H ALA 9 -1.052 -8.477 6.681 102 HA ALA 9 HA ALA 9 -3.476 -9.907 6.912 103 1HB ALA 9 1HB ALA 9 -2.125 -11.797 7.206 104 2HB ALA 9 2HB ALA 9 -1.144 -10.722 6.192 105 3HB ALA 9 3HB ALA 9 -0.779 -10.887 7.921 106 H ARG 10 H ARG 10 -1.226 -8.887 9.477 107 HA ARG 10 HA ARG 10 -2.354 -10.018 11.734 108 1HB ARG 10 1HB ARG 10 -0.759 -8.843 12.735 109 2HB ARG 10 2HB ARG 10 -0.391 -8.097 11.196 110 1HG ARG 10 1HG ARG 10 -2.178 -6.304 11.824 111 2HG ARG 10 2HG ARG 10 -2.103 -7.012 13.441 112 1HD ARG 10 1HD ARG 10 0.587 -6.632 12.835 113 2HD ARG 10 2HD ARG 10 -0.198 -5.335 11.933 114 HE ARG 10 HE ARG 10 -0.667 -4.237 13.900 115 1HH1 ARG 10 1HH1 ARG 10 0.047 -7.553 14.718 116 2HH1 ARG 10 2HH1 ARG 10 -0.005 -7.284 16.439 117 1HH2 ARG 10 1HH2 ARG 10 -0.755 -3.902 16.125 118 2HH2 ARG 10 2HH2 ARG 10 -0.457 -5.229 17.205 119 H MET 11 H MET 11 -3.887 -7.508 9.860 120 HA MET 11 HA MET 11 -5.600 -6.270 11.715 121 1HB MET 11 1HB MET 11 -6.034 -7.155 8.837 122 2HB MET 11 2HB MET 11 -7.247 -6.252 9.724 123 1HG MET 11 1HG MET 11 -4.526 -5.044 9.798 124 2HG MET 11 2HG MET 11 -5.287 -5.115 8.209 125 1HE MET 11 1HE MET 11 -5.828 -1.374 9.256 126 2HE MET 11 2HE MET 11 -4.420 -2.413 9.579 127 3HE MET 11 3HE MET 11 -5.219 -2.465 7.988 128 H THR 12 H THR 12 -5.810 -9.512 10.377 129 HA THR 12 HA THR 12 -7.805 -10.244 12.457 130 HB THR 12 HB THR 12 -9.390 -11.289 10.943 131 HG1 THR 12 HG1 THR 12 -7.662 -10.255 8.982 132 1HG2 THR 12 1HG2 THR 12 -8.945 -8.490 9.828 133 2HG2 THR 12 2HG2 THR 12 -10.432 -9.453 9.797 134 3HG2 THR 12 3HG2 THR 12 -9.804 -8.851 11.341 135 H GLY 13 H GLY 13 -5.176 -11.215 10.375 136 1HA GLY 13 1HA GLY 13 -4.095 -13.179 10.065 137 2HA GLY 13 2HA GLY 13 -5.115 -13.973 11.270 138 H ILE 14 H ILE 14 -7.680 -13.611 10.128 139 HA ILE 14 HA ILE 14 -7.762 -15.772 8.367 140 HB ILE 14 HB ILE 14 -9.949 -15.762 8.508 141 1HG1 ILE 14 1HG1 ILE 14 -11.510 -13.772 8.420 142 2HG1 ILE 14 2HG1 ILE 14 -10.157 -12.798 7.883 143 1HG2 ILE 14 1HG2 ILE 14 -9.214 -15.115 10.800 144 2HG2 ILE 14 2HG2 ILE 14 -9.655 -13.432 10.422 145 3HG2 ILE 14 3HG2 ILE 14 -10.890 -14.694 10.439 146 1HD1 ILE 14 1HD1 ILE 14 -11.877 -13.909 6.185 147 2HD1 ILE 14 2HD1 ILE 14 -10.169 -13.856 5.750 148 3HD1 ILE 14 3HD1 ILE 14 -10.879 -15.354 6.397 149 H ARG 15 H ARG 15 -7.526 -12.384 7.483 150 HA ARG 15 HA ARG 15 -7.841 -12.834 4.614 151 1HB ARG 15 1HB ARG 15 -6.522 -10.529 6.118 152 2HB ARG 15 2HB ARG 15 -6.582 -10.653 4.368 153 1HG ARG 15 1HG ARG 15 -8.315 -9.276 4.747 154 2HG ARG 15 2HG ARG 15 -9.143 -10.832 4.569 155 1HD ARG 15 1HD ARG 15 -9.315 -10.985 7.036 156 2HD ARG 15 2HD ARG 15 -8.401 -9.476 7.190 157 HE ARG 15 HE ARG 15 -10.247 -8.228 6.576 158 1HH1 ARG 15 1HH1 ARG 15 -11.129 -11.608 6.379 159 2HH1 ARG 15 2HH1 ARG 15 -12.828 -11.265 6.207 160 1HH2 ARG 15 1HH2 ARG 15 -12.434 -7.834 6.337 161 2HH2 ARG 15 2HH2 ARG 15 -13.521 -9.180 6.140 162 H GLU 16 H GLU 16 -5.088 -13.545 6.709 163 HA GLU 16 HA GLU 16 -2.923 -13.018 4.976 164 1HB GLU 16 1HB GLU 16 -2.986 -13.881 7.438 165 2HB GLU 16 2HB GLU 16 -3.067 -15.487 6.738 166 1HG GLU 16 1HG GLU 16 -0.825 -13.439 6.577 167 2HG GLU 16 2HG GLU 16 -0.799 -15.015 7.338 168 H ALA 17 H ALA 17 -4.723 -16.082 5.311 169 HA ALA 17 HA ALA 17 -3.610 -17.565 3.251 170 1HB ALA 17 1HB ALA 17 -6.505 -17.505 4.212 171 2HB ALA 17 2HB ALA 17 -5.739 -18.835 3.318 172 3HB ALA 17 3HB ALA 17 -5.173 -18.425 4.950 173 H THR 18 H THR 18 -5.859 -14.900 2.908 174 HA THR 18 HA THR 18 -6.441 -15.432 0.062 175 HB THR 18 HB THR 18 -7.875 -14.201 2.134 176 HG1 THR 18 HG1 THR 18 -9.356 -13.966 0.482 177 1HG2 THR 18 1HG2 THR 18 -8.534 -12.011 1.180 178 2HG2 THR 18 2HG2 THR 18 -6.882 -11.977 1.804 179 3HG2 THR 18 3HG2 THR 18 -7.158 -12.106 0.068 180 H LEU 19 H LEU 19 -4.585 -13.135 2.074 181 HA LEU 19 HA LEU 19 -3.666 -11.442 -0.054 182 1HB LEU 19 1HB LEU 19 -2.385 -12.111 2.615 183 2HB LEU 19 2HB LEU 19 -1.938 -10.781 1.558 184 HG LEU 19 HG LEU 19 -4.735 -10.977 2.684 185 1HD1 LEU 19 1HD1 LEU 19 -4.140 -10.506 4.754 186 2HD1 LEU 19 2HD1 LEU 19 -2.452 -10.766 4.323 187 3HD1 LEU 19 3HD1 LEU 19 -3.122 -9.147 4.263 188 1HD2 LEU 19 1HD2 LEU 19 -3.436 -9.088 0.973 189 2HD2 LEU 19 2HD2 LEU 19 -5.103 -9.141 1.571 190 3HD2 LEU 19 3HD2 LEU 19 -3.868 -8.278 2.481 191 H ARG 20 H ARG 20 -1.934 -14.130 1.659 192 HA ARG 20 HA ARG 20 0.287 -14.208 -0.191 193 1HB ARG 20 1HB ARG 20 0.808 -16.380 0.738 194 2HB ARG 20 2HB ARG 20 0.509 -15.202 2.006 195 1HG ARG 20 1HG ARG 20 -1.371 -16.267 2.769 196 2HG ARG 20 2HG ARG 20 -1.903 -16.762 1.194 197 1HD ARG 20 1HD ARG 20 0.326 -18.355 1.545 198 2HD ARG 20 2HD ARG 20 -0.290 -18.175 3.203 199 HE ARG 20 HE ARG 20 -2.376 -18.732 1.253 200 1HH1 ARG 20 1HH1 ARG 20 -0.063 -20.303 3.307 201 2HH1 ARG 20 2HH1 ARG 20 -0.811 -21.879 3.196 202 1HH2 ARG 20 1HH2 ARG 20 -3.333 -20.730 1.072 203 2HH2 ARG 20 2HH2 ARG 20 -2.670 -22.098 1.921 204 H ALA 21 H ALA 21 -2.928 -15.642 -0.387 205 HA ALA 21 HA ALA 21 -2.341 -17.328 -2.681 206 1HB ALA 21 1HB ALA 21 -4.343 -17.811 -1.439 207 2HB ALA 21 2HB ALA 21 -4.962 -16.162 -1.651 208 3HB ALA 21 3HB ALA 21 -4.824 -17.241 -3.046 209 H TRP 22 H TRP 22 -3.813 -14.004 -2.364 210 HA TRP 22 HA TRP 22 -3.852 -13.415 -5.103 211 1HB TRP 22 1HB TRP 22 -3.305 -11.474 -2.881 212 2HB TRP 22 2HB TRP 22 -3.839 -11.130 -4.535 213 HD1 TRP 22 HD1 TRP 22 -6.164 -13.505 -4.378 214 HE1 TRP 22 HE1 TRP 22 -8.367 -12.810 -3.257 215 HE3 TRP 22 HE3 TRP 22 -4.474 -9.571 -1.633 216 HZ2 TRP 22 HZ2 TRP 22 -9.319 -10.672 -1.578 217 HZ3 TRP 22 HZ3 TRP 22 -6.042 -8.179 -0.307 218 HH2 TRP 22 HH2 TRP 22 -8.464 -8.723 -0.245 219 H GLU 23 H GLU 23 -1.054 -13.004 -2.873 220 HA GLU 23 HA GLU 23 0.801 -11.875 -4.634 221 1HB GLU 23 1HB GLU 23 1.847 -12.136 -2.694 222 2HB GLU 23 2HB GLU 23 0.906 -13.538 -2.229 223 1HG GLU 23 1HG GLU 23 2.381 -15.025 -3.514 224 2HG GLU 23 2HG GLU 23 3.309 -13.635 -4.092 225 H ARG 24 H ARG 24 -0.229 -15.286 -4.648 226 HA ARG 24 HA ARG 24 1.382 -15.788 -7.115 227 1HB ARG 24 1HB ARG 24 0.163 -17.491 -4.959 228 2HB ARG 24 2HB ARG 24 0.148 -18.167 -6.591 229 1HG ARG 24 1HG ARG 24 2.572 -17.735 -6.819 230 2HG ARG 24 2HG ARG 24 2.628 -17.136 -5.148 231 1HD ARG 24 1HD ARG 24 2.014 -19.302 -4.279 232 2HD ARG 24 2HD ARG 24 1.630 -19.914 -5.904 233 HE ARG 24 HE ARG 24 4.262 -19.137 -6.107 234 1HH1 ARG 24 1HH1 ARG 24 2.644 -21.400 -4.004 235 2HH1 ARG 24 2HH1 ARG 24 4.027 -22.455 -3.865 236 1HH2 ARG 24 1HH2 ARG 24 6.019 -20.503 -5.934 237 2HH2 ARG 24 2HH2 ARG 24 5.913 -21.935 -4.959 238 H ARG 25 H ARG 25 -1.817 -15.014 -6.305 239 HA ARG 25 HA ARG 25 -2.976 -16.234 -8.743 240 1HB ARG 25 1HB ARG 25 -3.822 -16.406 -6.320 241 2HB ARG 25 2HB ARG 25 -4.421 -14.760 -6.537 242 1HG ARG 25 1HG ARG 25 -5.909 -15.578 -8.343 243 2HG ARG 25 2HG ARG 25 -5.268 -17.219 -8.112 244 1HD ARG 25 1HD ARG 25 -6.039 -17.329 -5.846 245 2HD ARG 25 2HD ARG 25 -6.438 -15.611 -5.799 246 HE ARG 25 HE ARG 25 -8.096 -16.373 -7.745 247 1HH1 ARG 25 1HH1 ARG 25 -7.612 -17.701 -4.536 248 2HH1 ARG 25 2HH1 ARG 25 -9.213 -18.377 -4.440 249 1HH2 ARG 25 1HH2 ARG 25 -10.110 -17.367 -7.631 250 2HH2 ARG 25 2HH2 ARG 25 -10.599 -18.185 -6.176 251 H TYR 26 H TYR 26 -2.262 -13.002 -7.596 252 HA TYR 26 HA TYR 26 -2.969 -11.865 -10.251 253 1HB TYR 26 1HB TYR 26 -4.029 -10.547 -7.721 254 2HB TYR 26 2HB TYR 26 -4.320 -10.070 -9.385 255 HD1 TYR 26 HD1 TYR 26 -5.762 -11.555 -10.870 256 HD2 TYR 26 HD2 TYR 26 -5.351 -12.173 -6.626 257 HE1 TYR 26 HE1 TYR 26 -7.736 -13.065 -10.906 258 HE2 TYR 26 HE2 TYR 26 -7.292 -13.719 -6.676 259 HH TYR 26 HH TYR 26 -9.313 -14.056 -9.527 260 H GLY 27 H GLY 27 -1.571 -11.282 -7.022 261 1HA GLY 27 1HA GLY 27 0.531 -10.259 -6.668 262 2HA GLY 27 2HA GLY 27 0.320 -9.255 -8.099 263 H PHE 28 H PHE 28 -2.642 -9.015 -6.680 264 HA PHE 28 HA PHE 28 -2.070 -6.459 -5.360 265 1HB PHE 28 1HB PHE 28 -3.968 -6.502 -6.766 266 2HB PHE 28 2HB PHE 28 -4.547 -8.009 -6.087 267 HD1 PHE 28 HD1 PHE 28 -4.473 -4.345 -5.654 268 HD2 PHE 28 HD2 PHE 28 -5.676 -8.087 -3.869 269 HE1 PHE 28 HE1 PHE 28 -6.082 -3.154 -4.226 270 HE2 PHE 28 HE2 PHE 28 -7.336 -6.887 -2.477 271 HZ PHE 28 HZ PHE 28 -7.567 -4.419 -2.679 272 HA PRO 29 HA PRO 29 -2.408 -5.132 -3.644 273 1HB PRO 29 1HB PRO 29 -1.241 -4.440 -1.305 274 2HB PRO 29 2HB PRO 29 -2.982 -4.605 -1.516 275 1HG PRO 29 1HG PRO 29 -1.061 -6.680 -0.356 276 2HG PRO 29 2HG PRO 29 -2.609 -6.151 0.334 277 1HD PRO 29 1HD PRO 29 -2.336 -8.401 -1.205 278 2HD PRO 29 2HD PRO 29 -3.827 -7.417 -1.232 279 H ARG 30 H ARG 30 -0.534 -4.271 -4.434 280 HA ARG 30 HA ARG 30 1.624 -6.229 -4.884 281 1HB ARG 30 1HB ARG 30 2.476 -4.443 -6.497 282 2HB ARG 30 2HB ARG 30 1.050 -5.390 -6.899 283 1HG ARG 30 1HG ARG 30 -0.426 -3.633 -6.665 284 2HG ARG 30 2HG ARG 30 0.622 -2.723 -5.558 285 1HD ARG 30 1HD ARG 30 1.440 -3.184 -8.427 286 2HD ARG 30 2HD ARG 30 0.354 -1.854 -7.959 287 HE ARG 30 HE ARG 30 2.449 -1.724 -6.157 288 1HH1 ARG 30 1HH1 ARG 30 2.233 -1.456 -9.621 289 2HH1 ARG 30 2HH1 ARG 30 3.470 -0.234 -9.756 290 1HH2 ARG 30 1HH2 ARG 30 3.964 -0.090 -6.312 291 2HH2 ARG 30 2HH2 ARG 30 4.434 0.539 -7.866 292 HA PRO 31 HA PRO 31 3.958 -4.217 -1.582 293 1HB PRO 31 1HB PRO 31 6.170 -5.887 -1.729 294 2HB PRO 31 2HB PRO 31 4.722 -6.226 -0.799 295 1HG PRO 31 1HG PRO 31 5.576 -7.265 -3.482 296 2HG PRO 31 2HG PRO 31 4.670 -8.113 -2.188 297 1HD PRO 31 1HD PRO 31 3.533 -7.045 -4.466 298 2HD PRO 31 2HD PRO 31 2.654 -7.260 -2.931 299 H LEU 32 H LEU 32 4.709 -2.289 -2.157 300 HA LEU 32 HA LEU 32 6.119 -1.808 -4.663 301 1HB LEU 32 1HB LEU 32 6.452 0.544 -3.624 302 2HB LEU 32 2HB LEU 32 4.885 0.057 -4.205 303 HG LEU 32 HG LEU 32 5.449 -0.348 -1.280 304 1HD1 LEU 32 1HD1 LEU 32 4.828 2.377 -2.461 305 2HD1 LEU 32 2HD1 LEU 32 4.832 1.942 -0.736 306 3HD1 LEU 32 3HD1 LEU 32 6.340 1.890 -1.651 307 1HD2 LEU 32 1HD2 LEU 32 3.034 0.645 -2.896 308 2HD2 LEU 32 2HD2 LEU 32 3.218 -0.989 -2.233 309 3HD2 LEU 32 3HD2 LEU 32 3.049 0.401 -1.152 310 H ARG 33 H ARG 33 8.159 -0.693 -4.788 311 HA ARG 33 HA ARG 33 10.295 -2.197 -3.637 312 1HB ARG 33 1HB ARG 33 10.082 0.291 -5.348 313 2HB ARG 33 2HB ARG 33 11.627 -0.054 -4.570 314 1HG ARG 33 1HG ARG 33 11.707 -2.290 -5.538 315 2HG ARG 33 2HG ARG 33 10.151 -2.051 -6.340 316 1HD ARG 33 1HD ARG 33 12.508 -0.181 -6.820 317 2HD ARG 33 2HD ARG 33 12.349 -1.720 -7.684 318 HE ARG 33 HE ARG 33 9.901 -0.259 -7.889 319 1HH1 ARG 33 1HH1 ARG 33 13.142 -0.160 -9.192 320 2HH1 ARG 33 2HH1 ARG 33 12.636 0.468 -10.736 321 1HH2 ARG 33 1HH2 ARG 33 9.270 0.548 -9.889 322 2HH2 ARG 33 2HH2 ARG 33 10.471 0.869 -11.100 323 H SER 34 H SER 34 12.219 -1.177 -2.532 324 HA SER 34 HA SER 34 11.674 0.755 -0.445 325 1HB SER 34 1HB SER 34 11.776 -2.228 0.203 326 2HB SER 34 2HB SER 34 11.928 -0.928 1.409 327 HG SER 34 HG SER 34 9.784 -0.585 -0.264 328 H GLU 35 H GLU 35 13.569 0.287 1.305 329 HA GLU 35 HA GLU 35 16.058 0.637 -0.103 330 1HB GLU 35 1HB GLU 35 14.995 1.315 2.435 331 2HB GLU 35 2HB GLU 35 16.239 0.125 2.794 332 1HG GLU 35 1HG GLU 35 17.725 1.555 1.146 333 2HG GLU 35 2HG GLU 35 16.489 2.799 1.379 334 H GLY 36 H GLY 36 18.008 -0.625 1.277 335 1HA GLY 36 1HA GLY 36 18.202 -3.074 -0.108 336 2HA GLY 36 2HA GLY 36 19.291 -2.534 1.172 337 H ASN 37 H ASN 37 18.478 -2.928 3.487 338 HA ASN 37 HA ASN 37 17.490 -5.682 3.741 339 1HB ASN 37 1HB ASN 37 17.956 -5.303 6.143 340 2HB ASN 37 2HB ASN 37 19.338 -4.854 5.140 341 1HD2 ASN 37 1HD2 ASN 37 16.966 -3.638 7.459 342 2HD2 ASN 37 2HD2 ASN 37 17.577 -1.979 7.336 343 H ASN 38 H ASN 38 16.021 -2.533 3.788 344 HA ASN 38 HA ASN 38 13.771 -3.252 5.503 345 1HB ASN 38 1HB ASN 38 14.584 -0.895 5.179 346 2HB ASN 38 2HB ASN 38 14.016 -0.954 3.510 347 1HD2 ASN 38 1HD2 ASN 38 11.449 -1.862 3.440 348 2HD2 ASN 38 2HD2 ASN 38 10.529 -0.911 4.602 349 H TYR 39 H TYR 39 12.936 -5.192 4.661 350 HA TYR 39 HA TYR 39 12.315 -5.883 2.103 351 1HB TYR 39 1HB TYR 39 10.133 -6.360 4.100 352 2HB TYR 39 2HB TYR 39 10.833 -7.463 2.933 353 HD1 TYR 39 HD1 TYR 39 10.386 -7.029 6.285 354 HD2 TYR 39 HD2 TYR 39 13.605 -7.755 3.503 355 HE1 TYR 39 HE1 TYR 39 11.767 -8.000 8.124 356 HE2 TYR 39 HE2 TYR 39 14.967 -8.722 5.330 357 HH TYR 39 HH TYR 39 15.047 -9.243 7.566 358 H ARG 40 H ARG 40 10.372 -5.930 0.832 359 HA ARG 40 HA ARG 40 9.356 -3.410 0.155 360 1HB ARG 40 1HB ARG 40 8.042 -6.102 -0.346 361 2HB ARG 40 2HB ARG 40 7.716 -4.575 -1.177 362 1HG ARG 40 1HG ARG 40 10.160 -4.596 -1.950 363 2HG ARG 40 2HG ARG 40 10.223 -6.266 -1.334 364 1HD ARG 40 1HD ARG 40 7.956 -6.461 -2.777 365 2HD ARG 40 2HD ARG 40 8.683 -5.109 -3.656 366 HE ARG 40 HE ARG 40 10.580 -7.244 -3.333 367 1HH1 ARG 40 1HH1 ARG 40 7.684 -6.505 -5.138 368 2HH1 ARG 40 2HH1 ARG 40 7.951 -7.759 -6.326 369 1HH2 ARG 40 1HH2 ARG 40 10.891 -8.881 -4.846 370 2HH2 ARG 40 2HH2 ARG 40 9.768 -9.072 -6.154 371 H VAL 41 H VAL 41 7.483 -2.346 0.417 372 HA VAL 41 HA VAL 41 5.779 -3.069 2.765 373 HB VAL 41 HB VAL 41 5.809 -0.680 3.441 374 1HG1 VAL 41 1HG1 VAL 41 7.885 -2.618 3.858 375 2HG1 VAL 41 2HG1 VAL 41 8.576 -0.994 3.860 376 3HG1 VAL 41 3HG1 VAL 41 7.230 -1.388 4.946 377 1HG2 VAL 41 1HG2 VAL 41 7.555 0.823 2.672 378 2HG2 VAL 41 2HG2 VAL 41 7.980 -0.321 1.400 379 3HG2 VAL 41 3HG2 VAL 41 6.381 0.431 1.401 380 H TYR 42 H TYR 42 4.025 -1.162 2.891 381 HA TYR 42 HA TYR 42 2.569 -1.177 0.286 382 1HB TYR 42 1HB TYR 42 1.661 -2.062 3.042 383 2HB TYR 42 2HB TYR 42 0.556 -1.733 1.709 384 HD1 TYR 42 HD1 TYR 42 0.256 -3.240 -0.096 385 HD2 TYR 42 HD2 TYR 42 3.427 -3.891 2.720 386 HE1 TYR 42 HE1 TYR 42 0.679 -5.480 -1.050 387 HE2 TYR 42 HE2 TYR 42 3.916 -6.112 1.663 388 HH TYR 42 HH TYR 42 1.811 -7.392 -0.958 389 H SER 43 H SER 43 0.650 0.266 0.341 390 HA SER 43 HA SER 43 1.151 2.766 1.908 391 1HB SER 43 1HB SER 43 0.393 2.411 -1.010 392 2HB SER 43 2HB SER 43 0.111 3.924 -0.122 393 HG SER 43 HG SER 43 2.625 2.623 -0.217 394 H ARG 44 H ARG 44 -0.700 4.069 2.292 395 HA ARG 44 HA ARG 44 -2.817 2.628 3.475 396 1HB ARG 44 1HB ARG 44 -1.932 5.261 3.588 397 2HB ARG 44 2HB ARG 44 -3.433 5.439 2.694 398 1HG ARG 44 1HG ARG 44 -4.190 5.657 4.871 399 2HG ARG 44 2HG ARG 44 -4.453 3.925 4.627 400 1HD ARG 44 1HD ARG 44 -2.210 3.500 5.716 401 2HD ARG 44 2HD ARG 44 -2.051 5.249 5.968 402 HE ARG 44 HE ARG 44 -4.503 4.157 7.085 403 1HH1 ARG 44 1HH1 ARG 44 -1.142 4.778 7.829 404 2HH1 ARG 44 2HH1 ARG 44 -1.394 4.741 9.554 405 1HH2 ARG 44 1HH2 ARG 44 -4.787 4.075 9.315 406 2HH2 ARG 44 2HH2 ARG 44 -3.426 4.319 10.361 407 H GLU 45 H GLU 45 -2.684 4.132 0.273 408 HA GLU 45 HA GLU 45 -5.370 3.693 -0.550 409 1HB GLU 45 1HB GLU 45 -4.415 3.847 -2.848 410 2HB GLU 45 2HB GLU 45 -4.010 5.196 -1.790 411 1HG GLU 45 1HG GLU 45 -1.761 4.458 -1.479 412 2HG GLU 45 2HG GLU 45 -2.066 2.882 -2.195 413 H GLU 46 H GLU 46 -2.560 1.468 -0.712 414 HA GLU 46 HA GLU 46 -4.034 -0.594 -2.148 415 1HB GLU 46 1HB GLU 46 -1.369 -0.386 -0.760 416 2HB GLU 46 2HB GLU 46 -2.068 -1.994 -0.858 417 1HG GLU 46 1HG GLU 46 -1.701 -0.201 -3.292 418 2HG GLU 46 2HG GLU 46 -0.492 -1.349 -2.716 419 H VAL 47 H VAL 47 -3.132 -0.093 1.281 420 HA VAL 47 HA VAL 47 -4.692 -2.259 2.297 421 HB VAL 47 HB VAL 47 -3.800 0.306 3.642 422 1HG1 VAL 47 1HG1 VAL 47 -5.047 -2.184 4.876 423 2HG1 VAL 47 2HG1 VAL 47 -4.228 -0.887 5.785 424 3HG1 VAL 47 3HG1 VAL 47 -5.700 -0.531 4.885 425 1HG2 VAL 47 1HG2 VAL 47 -1.812 -0.800 3.412 426 2HG2 VAL 47 2HG2 VAL 47 -2.394 -1.791 4.756 427 3HG2 VAL 47 3HG2 VAL 47 -2.580 -2.362 3.095 428 H GLU 48 H GLU 48 -5.749 1.063 1.492 429 HA GLU 48 HA GLU 48 -8.393 0.936 2.470 430 1HB GLU 48 1HB GLU 48 -7.194 2.952 1.449 431 2HB GLU 48 2HB GLU 48 -7.497 2.242 -0.126 432 1HG GLU 48 1HG GLU 48 -9.259 3.670 -0.001 433 2HG GLU 48 2HG GLU 48 -10.026 2.229 0.658 434 H ALA 49 H ALA 49 -7.303 0.169 -0.864 435 HA ALA 49 HA ALA 49 -9.746 -0.987 -1.740 436 1HB ALA 49 1HB ALA 49 -6.876 -1.556 -2.604 437 2HB ALA 49 2HB ALA 49 -8.345 -2.014 -3.502 438 3HB ALA 49 3HB ALA 49 -7.946 -0.300 -3.258 439 H VAL 50 H VAL 50 -6.845 -2.583 -0.313 440 HA VAL 50 HA VAL 50 -7.824 -5.236 -0.336 441 HB VAL 50 HB VAL 50 -5.917 -3.878 1.582 442 1HG1 VAL 50 1HG1 VAL 50 -6.536 -5.825 2.792 443 2HG1 VAL 50 2HG1 VAL 50 -6.657 -6.807 1.322 444 3HG1 VAL 50 3HG1 VAL 50 -5.068 -6.288 1.923 445 1HG2 VAL 50 1HG2 VAL 50 -5.264 -5.830 -0.643 446 2HG2 VAL 50 2HG2 VAL 50 -5.364 -4.101 -0.955 447 3HG2 VAL 50 3HG2 VAL 50 -4.219 -4.678 0.247 448 H ARG 51 H ARG 51 -8.147 -2.826 2.348 449 HA ARG 51 HA ARG 51 -9.643 -4.502 4.119 450 1HB ARG 51 1HB ARG 51 -9.501 -1.500 3.683 451 2HB ARG 51 2HB ARG 51 -10.686 -2.191 4.794 452 1HG ARG 51 1HG ARG 51 -8.852 -3.354 6.017 453 2HG ARG 51 2HG ARG 51 -7.662 -2.501 5.036 454 1HD ARG 51 1HD ARG 51 -9.812 -1.038 6.644 455 2HD ARG 51 2HD ARG 51 -8.301 -1.563 7.370 456 HE ARG 51 HE ARG 51 -7.109 0.050 6.233 457 1HH1 ARG 51 1HH1 ARG 51 -10.426 0.239 4.899 458 2HH1 ARG 51 2HH1 ARG 51 -9.971 1.790 4.145 459 1HH2 ARG 51 1HH2 ARG 51 -6.821 2.045 5.094 460 2HH2 ARG 51 2HH2 ARG 51 -8.272 2.633 4.258 461 H ARG 52 H ARG 52 -10.803 -2.335 1.514 462 HA ARG 52 HA ARG 52 -13.582 -2.993 1.820 463 1HB ARG 52 1HB ARG 52 -12.611 -1.077 0.403 464 2HB ARG 52 2HB ARG 52 -12.239 -2.297 -0.823 465 1HG ARG 52 1HG ARG 52 -14.818 -2.976 -0.389 466 2HG ARG 52 2HG ARG 52 -14.910 -1.333 0.204 467 1HD ARG 52 1HD ARG 52 -13.539 -1.425 -2.394 468 2HD ARG 52 2HD ARG 52 -15.047 -2.325 -2.485 469 HE ARG 52 HE ARG 52 -14.751 0.503 -2.423 470 1HH1 ARG 52 1HH1 ARG 52 -16.950 -1.938 -1.195 471 2HH1 ARG 52 2HH1 ARG 52 -18.286 -0.831 -1.057 472 1HH2 ARG 52 1HH2 ARG 52 -16.488 1.888 -2.257 473 2HH2 ARG 52 2HH2 ARG 52 -18.015 1.305 -1.670 474 H VAL 53 H VAL 53 -11.237 -4.305 -0.543 475 HA VAL 53 HA VAL 53 -12.810 -6.327 -1.690 476 HB VAL 53 HB VAL 53 -9.804 -6.257 -1.213 477 1HG1 VAL 53 1HG1 VAL 53 -10.368 -8.542 -1.583 478 2HG1 VAL 53 2HG1 VAL 53 -11.447 -8.149 -2.929 479 3HG1 VAL 53 3HG1 VAL 53 -9.689 -7.930 -3.080 480 1HG2 VAL 53 1HG2 VAL 53 -11.592 -4.996 -3.201 481 2HG2 VAL 53 2HG2 VAL 53 -9.907 -4.657 -2.823 482 3HG2 VAL 53 3HG2 VAL 53 -10.291 -5.937 -3.949 483 H ALA 54 H ALA 54 -10.595 -6.734 1.134 484 HA ALA 54 HA ALA 54 -11.218 -9.388 1.769 485 1HB ALA 54 1HB ALA 54 -9.344 -8.123 2.696 486 2HB ALA 54 2HB ALA 54 -10.467 -7.036 3.554 487 3HB ALA 54 3HB ALA 54 -10.385 -8.752 3.987 488 H ARG 55 H ARG 55 -12.972 -6.418 2.854 489 HA ARG 55 HA ARG 55 -14.886 -7.891 4.491 490 1HB ARG 55 1HB ARG 55 -14.318 -5.353 4.574 491 2HB ARG 55 2HB ARG 55 -15.339 -5.206 3.150 492 1HG ARG 55 1HG ARG 55 -16.962 -4.832 4.687 493 2HG ARG 55 2HG ARG 55 -17.077 -6.579 4.716 494 1HD ARG 55 1HD ARG 55 -16.615 -6.595 6.906 495 2HD ARG 55 2HD ARG 55 -15.031 -5.862 6.614 496 HE ARG 55 HE ARG 55 -16.837 -3.758 6.458 497 1HH1 ARG 55 1HH1 ARG 55 -16.004 -5.991 9.022 498 2HH1 ARG 55 2HH1 ARG 55 -16.512 -4.899 10.282 499 1HH2 ARG 55 1HH2 ARG 55 -17.498 -2.402 8.089 500 2HH2 ARG 55 2HH2 ARG 55 -17.338 -2.897 9.744 501 H LEU 56 H LEU 56 -14.902 -6.732 1.118 502 HA LEU 56 HA LEU 56 -17.456 -7.714 0.365 503 1HB LEU 56 1HB LEU 56 -15.133 -6.502 -0.878 504 2HB LEU 56 2HB LEU 56 -15.516 -7.911 -1.773 505 HG LEU 56 HG LEU 56 -16.594 -6.258 -2.917 506 1HD1 LEU 56 1HD1 LEU 56 -18.913 -7.005 -1.116 507 2HD1 LEU 56 2HD1 LEU 56 -18.934 -6.594 -2.832 508 3HD1 LEU 56 3HD1 LEU 56 -18.219 -8.128 -2.298 509 1HD2 LEU 56 1HD2 LEU 56 -17.934 -4.445 -1.931 510 2HD2 LEU 56 2HD2 LEU 56 -17.541 -5.050 -0.302 511 3HD2 LEU 56 3HD2 LEU 56 -16.249 -4.448 -1.374 512 H ILE 57 H ILE 57 -14.287 -9.396 0.376 513 HA ILE 57 HA ILE 57 -15.170 -11.912 -0.631 514 HB ILE 57 HB ILE 57 -12.872 -11.105 1.145 515 1HG1 ILE 57 1HG1 ILE 57 -11.670 -12.513 -0.673 516 2HG1 ILE 57 2HG1 ILE 57 -13.200 -12.483 -1.559 517 1HG2 ILE 57 1HG2 ILE 57 -12.062 -13.449 1.291 518 2HG2 ILE 57 2HG2 ILE 57 -13.508 -13.189 2.248 519 3HG2 ILE 57 3HG2 ILE 57 -13.626 -14.020 0.680 520 1HD1 ILE 57 1HD1 ILE 57 -13.070 -10.049 -1.692 521 2HD1 ILE 57 2HD1 ILE 57 -11.633 -10.076 -0.614 522 3HD1 ILE 57 3HD1 ILE 57 -11.539 -10.746 -2.237 523 H GLN 58 H GLN 58 -15.495 -10.595 2.678 524 HA GLN 58 HA GLN 58 -16.505 -13.060 3.792 525 1HB GLN 58 1HB GLN 58 -16.214 -10.245 4.685 526 2HB GLN 58 2HB GLN 58 -17.648 -11.027 5.324 527 1HG GLN 58 1HG GLN 58 -14.793 -12.061 5.560 528 2HG GLN 58 2HG GLN 58 -15.718 -11.234 6.820 529 1HE2 GLN 58 1HE2 GLN 58 -14.860 -14.381 5.695 530 2HE2 GLN 58 2HE2 GLN 58 -16.201 -15.156 6.546 531 H GLU 59 H GLU 59 -18.016 -10.861 1.556 532 HA GLU 59 HA GLU 59 -20.724 -11.729 2.318 533 1HB GLU 59 1HB GLU 59 -19.905 -10.138 -0.138 534 2HB GLU 59 2HB GLU 59 -21.510 -10.327 0.572 535 1HG GLU 59 1HG GLU 59 -20.438 -9.283 2.732 536 2HG GLU 59 2HG GLU 59 -19.128 -8.787 1.661 537 H GLU 60 H GLU 60 -18.394 -12.449 -0.259 538 HA GLU 60 HA GLU 60 -19.843 -15.001 -0.824 539 1HB GLU 60 1HB GLU 60 -19.781 -12.674 -2.701 540 2HB GLU 60 2HB GLU 60 -19.343 -14.216 -3.418 541 1HG GLU 60 1HG GLU 60 -21.436 -15.234 -2.494 542 2HG GLU 60 2HG GLU 60 -21.945 -13.621 -1.974 543 H GLY 61 H GLY 61 -16.854 -13.184 -1.205 544 1HA GLY 61 1HA GLY 61 -14.706 -14.114 -1.330 545 2HA GLY 61 2HA GLY 61 -15.381 -15.681 -1.733 546 H LEU 62 H LEU 62 -16.965 -14.646 -4.032 547 HA LEU 62 HA LEU 62 -15.248 -14.732 -6.260 548 1HB LEU 62 1HB LEU 62 -17.527 -14.986 -6.674 549 2HB LEU 62 2HB LEU 62 -17.975 -13.587 -5.709 550 HG LEU 62 HG LEU 62 -17.220 -12.053 -7.438 551 1HD1 LEU 62 1HD1 LEU 62 -16.461 -14.573 -8.977 552 2HD1 LEU 62 2HD1 LEU 62 -16.862 -13.049 -9.799 553 3HD1 LEU 62 3HD1 LEU 62 -15.488 -13.110 -8.717 554 1HD2 LEU 62 1HD2 LEU 62 -19.545 -12.960 -7.377 555 2HD2 LEU 62 2HD2 LEU 62 -19.022 -12.449 -8.986 556 3HD2 LEU 62 3HD2 LEU 62 -19.063 -14.181 -8.576 557 H SER 63 H SER 63 -16.106 -11.943 -4.299 558 HA SER 63 HA SER 63 -14.867 -9.856 -5.732 559 1HB SER 63 1HB SER 63 -15.384 -10.266 -2.796 560 2HB SER 63 2HB SER 63 -14.511 -8.849 -3.416 561 HG SER 63 HG SER 63 -17.149 -9.651 -4.089 562 H VAL 64 H VAL 64 -13.158 -12.539 -4.290 563 HA VAL 64 HA VAL 64 -10.544 -11.342 -4.143 564 HB VAL 64 HB VAL 64 -11.527 -14.114 -4.926 565 1HG1 VAL 64 1HG1 VAL 64 -8.764 -12.977 -5.217 566 2HG1 VAL 64 2HG1 VAL 64 -8.978 -14.693 -4.775 567 3HG1 VAL 64 3HG1 VAL 64 -9.660 -14.068 -6.272 568 1HG2 VAL 64 1HG2 VAL 64 -10.079 -14.663 -2.846 569 2HG2 VAL 64 2HG2 VAL 64 -10.090 -12.913 -2.524 570 3HG2 VAL 64 3HG2 VAL 64 -11.600 -13.832 -2.591 571 H SER 65 H SER 65 -12.178 -12.845 -6.995 572 HA SER 65 HA SER 65 -10.084 -11.618 -8.690 573 1HB SER 65 1HB SER 65 -11.429 -13.959 -8.944 574 2HB SER 65 2HB SER 65 -12.443 -12.932 -9.977 575 HG SER 65 HG SER 65 -10.530 -12.339 -11.085 576 H GLU 66 H GLU 66 -13.543 -11.182 -7.971 577 HA GLU 66 HA GLU 66 -14.078 -9.241 -10.016 578 1HB GLU 66 1HB GLU 66 -15.479 -10.454 -7.748 579 2HB GLU 66 2HB GLU 66 -15.882 -8.757 -7.890 580 1HG GLU 66 1HG GLU 66 -15.955 -10.602 -10.309 581 2HG GLU 66 2HG GLU 66 -17.292 -10.521 -9.160 582 H ALA 67 H ALA 67 -13.482 -8.569 -6.438 583 HA ALA 67 HA ALA 67 -13.607 -5.765 -7.027 584 1HB ALA 67 1HB ALA 67 -13.196 -5.401 -4.741 585 2HB ALA 67 2HB ALA 67 -14.260 -6.810 -4.860 586 3HB ALA 67 3HB ALA 67 -12.528 -7.032 -4.517 587 H ILE 68 H ILE 68 -10.939 -8.093 -6.976 588 HA ILE 68 HA ILE 68 -8.827 -6.118 -7.217 589 HB ILE 68 HB ILE 68 -8.895 -9.037 -8.035 590 1HG1 ILE 68 1HG1 ILE 68 -7.499 -7.475 -5.812 591 2HG1 ILE 68 2HG1 ILE 68 -8.945 -8.430 -5.575 592 1HG2 ILE 68 1HG2 ILE 68 -7.318 -7.900 -9.532 593 2HG2 ILE 68 2HG2 ILE 68 -6.595 -7.025 -8.160 594 3HG2 ILE 68 3HG2 ILE 68 -6.408 -8.784 -8.325 595 1HD1 ILE 68 1HD1 ILE 68 -7.147 -9.735 -4.759 596 2HD1 ILE 68 2HD1 ILE 68 -7.624 -10.491 -6.286 597 3HD1 ILE 68 3HD1 ILE 68 -6.170 -9.494 -6.211 598 H ALA 69 H ALA 69 -10.647 -8.017 -9.783 599 HA ALA 69 HA ALA 69 -9.461 -6.606 -11.943 600 1HB ALA 69 1HB ALA 69 -10.666 -8.718 -12.204 601 2HB ALA 69 2HB ALA 69 -12.196 -7.925 -11.759 602 3HB ALA 69 3HB ALA 69 -11.351 -7.464 -13.255 603 H GLN 70 H GLN 70 -12.368 -5.809 -10.017 604 HA GLN 70 HA GLN 70 -13.129 -3.409 -11.330 605 1HB GLN 70 1HB GLN 70 -13.342 -4.275 -8.450 606 2HB GLN 70 2HB GLN 70 -13.995 -2.748 -9.034 607 1HG GLN 70 1HG GLN 70 -15.540 -3.803 -10.502 608 2HG GLN 70 2HG GLN 70 -14.756 -5.375 -10.355 609 1HE2 GLN 70 1HE2 GLN 70 -16.501 -6.578 -9.572 610 2HE2 GLN 70 2HE2 GLN 70 -17.286 -6.157 -8.029 611 H VAL 71 H VAL 71 -10.980 -3.572 -8.325 612 HA VAL 71 HA VAL 71 -10.326 -0.807 -8.660 613 HB VAL 71 HB VAL 71 -10.092 -2.176 -6.552 614 1HG1 VAL 71 1HG1 VAL 71 -7.324 -2.842 -7.654 615 2HG1 VAL 71 2HG1 VAL 71 -7.948 -3.186 -6.028 616 3HG1 VAL 71 3HG1 VAL 71 -8.656 -3.995 -7.425 617 1HG2 VAL 71 1HG2 VAL 71 -9.366 0.163 -6.753 618 2HG2 VAL 71 2HG2 VAL 71 -8.312 -0.762 -5.670 619 3HG2 VAL 71 3HG2 VAL 71 -7.764 -0.374 -7.308 620 H LYS 72 H LYS 72 -8.866 -3.623 -10.177 621 HA LYS 72 HA LYS 72 -6.612 -2.267 -11.375 622 1HB LYS 72 1HB LYS 72 -8.234 -4.699 -12.213 623 2HB LYS 72 2HB LYS 72 -6.847 -4.124 -13.110 624 1HG LYS 72 1HG LYS 72 -6.274 -4.474 -10.212 625 2HG LYS 72 2HG LYS 72 -6.819 -5.959 -10.990 626 1HD LYS 72 1HD LYS 72 -4.566 -4.229 -12.060 627 2HD LYS 72 2HD LYS 72 -4.322 -5.636 -11.008 628 1HE LYS 72 1HE LYS 72 -4.984 -7.181 -12.612 629 2HE LYS 72 2HE LYS 72 -6.032 -6.034 -13.444 630 1HZ LYS 72 1HZ LYS 72 -4.056 -4.904 -14.266 631 2HZ LYS 72 2HZ LYS 72 -3.082 -6.030 -13.564 632 3HZ LYS 72 3HZ LYS 72 -4.109 -6.464 -14.775 633 H THR 73 H THR 73 -9.989 -2.698 -12.582 634 HA THR 73 HA THR 73 -9.325 -0.987 -14.910 635 HB THR 73 HB THR 73 -10.682 -3.043 -15.191 636 HG1 THR 73 HG1 THR 73 -11.598 -0.476 -15.887 637 1HG2 THR 73 1HG2 THR 73 -12.246 -2.555 -13.152 638 2HG2 THR 73 2HG2 THR 73 -13.099 -1.470 -14.262 639 3HG2 THR 73 3HG2 THR 73 -12.947 -3.195 -14.642 640 H GLU 74 H GLU 74 -10.586 -0.445 -11.788 641 HA GLU 74 HA GLU 74 -11.394 2.339 -12.490 642 1HB GLU 74 1HB GLU 74 -12.550 0.569 -10.304 643 2HB GLU 74 2HB GLU 74 -12.969 2.247 -10.667 644 1HG GLU 74 1HG GLU 74 -13.632 1.423 -13.015 645 2HG GLU 74 2HG GLU 74 -13.484 -0.216 -12.367 646 HA PRO 75 HA PRO 75 -7.673 2.237 -9.763 647 1HB PRO 75 1HB PRO 75 -6.425 4.523 -10.716 648 2HB PRO 75 2HB PRO 75 -6.260 2.888 -11.426 649 1HG PRO 75 1HG PRO 75 -8.100 5.132 -12.294 650 2HG PRO 75 2HG PRO 75 -7.078 4.070 -13.317 651 1HD PRO 75 1HD PRO 75 -9.735 3.623 -12.966 652 2HD PRO 75 2HD PRO 75 -8.578 2.261 -13.095 653 HA PRO 76 HA PRO 76 -9.723 5.068 -6.967 654 1HB PRO 76 1HB PRO 76 -8.215 4.764 -4.706 655 2HB PRO 76 2HB PRO 76 -9.287 3.478 -5.338 656 1HG PRO 76 1HG PRO 76 -6.296 3.778 -5.744 657 2HG PRO 76 2HG PRO 76 -7.210 2.311 -5.262 658 1HD PRO 76 1HD PRO 76 -6.451 2.806 -7.853 659 2HD PRO 76 2HD PRO 76 -7.977 1.957 -7.460 660 H ARG 77 H ARG 77 -9.480 7.094 -5.980 661 HA ARG 77 HA ARG 77 -6.959 8.590 -6.074 662 1HB ARG 77 1HB ARG 77 -8.104 8.645 -8.412 663 2HB ARG 77 2HB ARG 77 -9.384 9.558 -7.650 664 1HG ARG 77 1HG ARG 77 -8.192 11.364 -8.250 665 2HG ARG 77 2HG ARG 77 -7.179 11.030 -6.840 666 1HD ARG 77 1HD ARG 77 -5.557 9.845 -8.218 667 2HD ARG 77 2HD ARG 77 -6.673 9.838 -9.597 668 HE ARG 77 HE ARG 77 -6.009 12.509 -8.661 669 1HH1 ARG 77 1HH1 ARG 77 -4.913 9.967 -10.783 670 2HH1 ARG 77 2HH1 ARG 77 -4.159 11.052 -11.923 671 1HH2 ARG 77 1HH2 ARG 77 -5.050 13.903 -10.151 672 2HH2 ARG 77 2HH2 ARG 77 -4.235 13.256 -11.543 673 H GLU 78 H GLU 78 -6.987 9.481 -4.065 674 HA GLU 78 HA GLU 78 -9.489 10.299 -2.735 675 1HB GLU 78 1HB GLU 78 -7.186 9.213 -1.747 676 2HB GLU 78 2HB GLU 78 -6.786 10.908 -1.563 677 1HG GLU 78 1HG GLU 78 -9.516 10.204 -0.571 678 2HG GLU 78 2HG GLU 78 -8.252 9.253 0.168 Start of MODEL 16 1 1H GLY -2 1H GLY -2 6.606 18.025 6.935 2 2H GLY -2 2H GLY -2 6.430 18.628 8.462 3 3H GLY -2 3H GLY -2 5.184 17.824 7.742 4 1HA GLY -2 1HA GLY -2 7.725 16.742 8.719 5 2HA GLY -2 2HA GLY -2 6.095 16.271 9.242 6 H SER -1 H SER -1 5.917 14.101 8.539 7 HA SER -1 HA SER -1 6.960 13.383 5.845 8 1HB SER -1 1HB SER -1 8.686 13.270 7.676 9 2HB SER -1 2HB SER -1 7.720 11.989 8.436 10 HG SER -1 HG SER -1 9.429 11.304 6.953 11 H HIS 0 H HIS 0 6.854 10.644 6.126 12 HA HIS 0 HA HIS 0 3.955 10.005 6.427 13 1HB HIS 0 1HB HIS 0 3.697 9.138 4.258 14 2HB HIS 0 2HB HIS 0 4.465 10.693 4.064 15 HD1 HIS 0 HD1 HIS 0 6.688 10.684 2.654 16 HD2 HIS 0 HD2 HIS 0 5.274 6.883 3.820 17 HE1 HIS 0 HE1 HIS 0 8.061 8.943 1.327 18 HE2 HIS 0 HE2 HIS 0 7.203 6.631 2.084 19 H MET 1 H MET 1 3.636 7.509 5.795 20 HA MET 1 HA MET 1 5.527 5.877 7.438 21 1HB MET 1 1HB MET 1 2.642 6.545 7.820 22 2HB MET 1 2HB MET 1 2.980 4.824 7.877 23 1HG MET 1 1HG MET 1 4.773 5.249 9.556 24 2HG MET 1 2HG MET 1 4.259 6.945 9.624 25 1HE MET 1 1HE MET 1 4.250 5.836 12.375 26 2HE MET 1 2HE MET 1 3.042 4.609 12.829 27 3HE MET 1 3HE MET 1 4.358 4.185 11.715 28 H THR 2 H THR 2 5.225 3.500 7.206 29 HA THR 2 HA THR 2 3.685 2.385 5.032 30 HB THR 2 HB THR 2 5.579 1.033 4.120 31 HG1 THR 2 HG1 THR 2 7.103 2.876 5.603 32 1HG2 THR 2 1HG2 THR 2 6.059 4.002 3.679 33 2HG2 THR 2 2HG2 THR 2 6.542 2.660 2.630 34 3HG2 THR 2 3HG2 THR 2 4.819 3.026 2.852 35 H LEU 3 H LEU 3 3.620 -0.013 5.229 36 HA LEU 3 HA LEU 3 4.622 -1.184 7.784 37 1HB LEU 3 1HB LEU 3 1.711 -1.020 6.884 38 2HB LEU 3 2HB LEU 3 2.273 -2.309 7.907 39 HG LEU 3 HG LEU 3 1.238 -0.870 9.322 40 1HD1 LEU 3 1HD1 LEU 3 4.155 -0.123 9.719 41 2HD1 LEU 3 2HD1 LEU 3 2.885 -0.242 10.944 42 3HD1 LEU 3 3HD1 LEU 3 3.463 -1.708 10.129 43 1HD2 LEU 3 1HD2 LEU 3 1.410 1.436 9.591 44 2HD2 LEU 3 2HD2 LEU 3 2.818 1.574 8.547 45 3HD2 LEU 3 3HD2 LEU 3 1.235 1.167 7.846 46 H ARG 4 H ARG 4 4.308 -3.630 7.817 47 HA ARG 4 HA ARG 4 5.179 -4.725 5.185 48 1HB ARG 4 1HB ARG 4 5.241 -5.940 7.975 49 2HB ARG 4 2HB ARG 4 5.976 -6.646 6.540 50 1HG ARG 4 1HG ARG 4 7.825 -5.314 6.629 51 2HG ARG 4 2HG ARG 4 6.908 -3.885 7.060 52 1HD ARG 4 1HD ARG 4 8.156 -4.155 8.935 53 2HD ARG 4 2HD ARG 4 6.635 -4.918 9.408 54 HE ARG 4 HE ARG 4 8.393 -6.907 8.328 55 1HH1 ARG 4 1HH1 ARG 4 8.093 -4.920 11.185 56 2HH1 ARG 4 2HH1 ARG 4 9.153 -5.912 12.146 57 1HH2 ARG 4 1HH2 ARG 4 9.855 -8.126 9.571 58 2HH2 ARG 4 2HH2 ARG 4 10.096 -7.712 11.236 59 H ILE 5 H ILE 5 4.419 -6.842 4.420 60 HA ILE 5 HA ILE 5 1.649 -7.230 4.431 61 HB ILE 5 HB ILE 5 3.377 -8.418 2.917 62 1HG1 ILE 5 1HG1 ILE 5 1.809 -10.446 2.621 63 2HG1 ILE 5 2HG1 ILE 5 0.877 -9.810 3.968 64 1HG2 ILE 5 1HG2 ILE 5 4.656 -9.589 4.699 65 2HG2 ILE 5 2HG2 ILE 5 3.232 -10.629 4.987 66 3HG2 ILE 5 3HG2 ILE 5 4.048 -10.652 3.425 67 1HD1 ILE 5 1HD1 ILE 5 0.599 -7.654 2.617 68 2HD1 ILE 5 2HD1 ILE 5 1.393 -8.497 1.267 69 3HD1 ILE 5 3HD1 ILE 5 -0.143 -9.082 1.904 70 H ARG 6 H ARG 6 3.935 -8.590 6.729 71 HA ARG 6 HA ARG 6 2.200 -10.253 8.214 72 1HB ARG 6 1HB ARG 6 4.886 -9.304 8.444 73 2HB ARG 6 2HB ARG 6 4.122 -8.886 9.970 74 1HG ARG 6 1HG ARG 6 3.980 -11.657 8.703 75 2HG ARG 6 2HG ARG 6 5.257 -11.172 9.817 76 1HD ARG 6 1HD ARG 6 3.791 -11.003 11.668 77 2HD ARG 6 2HD ARG 6 2.360 -10.892 10.645 78 HE ARG 6 HE ARG 6 2.207 -13.160 10.532 79 1HH1 ARG 6 1HH1 ARG 6 5.477 -12.549 11.636 80 2HH1 ARG 6 2HH1 ARG 6 5.818 -14.241 11.877 81 1HH2 ARG 6 1HH2 ARG 6 2.689 -15.304 10.827 82 2HH2 ARG 6 2HH2 ARG 6 4.236 -15.762 11.459 83 H THR 7 H THR 7 2.661 -6.732 8.469 84 HA THR 7 HA THR 7 0.906 -6.355 10.730 85 HB THR 7 HB THR 7 1.704 -4.336 8.605 86 HG1 THR 7 HG1 THR 7 2.922 -4.558 11.097 87 1HG2 THR 7 1HG2 THR 7 0.634 -4.116 11.454 88 2HG2 THR 7 2HG2 THR 7 1.412 -2.769 10.611 89 3HG2 THR 7 3HG2 THR 7 -0.080 -3.462 9.966 90 H ILE 8 H ILE 8 0.478 -6.082 7.160 91 HA ILE 8 HA ILE 8 -2.270 -5.253 7.234 92 HB ILE 8 HB ILE 8 -0.962 -6.988 5.089 93 1HG1 ILE 8 1HG1 ILE 8 -1.045 -3.962 5.426 94 2HG1 ILE 8 2HG1 ILE 8 0.381 -4.981 5.394 95 1HG2 ILE 8 1HG2 ILE 8 -3.491 -6.853 5.045 96 2HG2 ILE 8 2HG2 ILE 8 -3.350 -5.088 4.922 97 3HG2 ILE 8 3HG2 ILE 8 -2.718 -6.153 3.642 98 1HD1 ILE 8 1HD1 ILE 8 -1.427 -4.460 3.002 99 2HD1 ILE 8 2HD1 ILE 8 0.178 -3.814 3.300 100 3HD1 ILE 8 3HD1 ILE 8 -0.024 -5.552 3.022 101 H ALA 9 H ALA 9 -0.854 -8.532 6.948 102 HA ALA 9 HA ALA 9 -3.275 -9.990 7.049 103 1HB ALA 9 1HB ALA 9 -1.829 -11.862 7.510 104 2HB ALA 9 2HB ALA 9 -1.013 -10.815 6.339 105 3HB ALA 9 3HB ALA 9 -0.509 -10.813 8.046 106 H ARG 10 H ARG 10 -1.122 -8.956 9.720 107 HA ARG 10 HA ARG 10 -2.464 -10.086 11.918 108 1HB ARG 10 1HB ARG 10 -0.602 -7.779 11.472 109 2HB ARG 10 2HB ARG 10 -1.457 -7.774 12.990 110 1HG ARG 10 1HG ARG 10 -0.070 -10.312 12.079 111 2HG ARG 10 2HG ARG 10 0.859 -9.001 12.830 112 1HD ARG 10 1HD ARG 10 -0.373 -9.076 14.842 113 2HD ARG 10 2HD ARG 10 -1.680 -10.037 14.130 114 HE ARG 10 HE ARG 10 0.502 -11.684 13.885 115 1HH1 ARG 10 1HH1 ARG 10 -0.967 -10.095 16.622 116 2HH1 ARG 10 2HH1 ARG 10 -0.605 -11.386 17.734 117 1HH2 ARG 10 1HH2 ARG 10 0.917 -13.373 15.326 118 2HH2 ARG 10 2HH2 ARG 10 0.444 -13.207 16.987 119 H MET 11 H MET 11 -3.860 -7.652 9.920 120 HA MET 11 HA MET 11 -5.664 -6.490 11.821 121 1HB MET 11 1HB MET 11 -6.055 -7.269 8.901 122 2HB MET 11 2HB MET 11 -7.259 -6.412 9.868 123 1HG MET 11 1HG MET 11 -5.671 -4.579 10.278 124 2HG MET 11 2HG MET 11 -4.470 -5.378 9.255 125 1HE MET 11 1HE MET 11 -4.375 -2.960 7.932 126 2HE MET 11 2HE MET 11 -5.833 -2.193 7.258 127 3HE MET 11 3HE MET 11 -5.658 -2.370 9.016 128 H THR 12 H THR 12 -5.721 -9.706 10.246 129 HA THR 12 HA THR 12 -7.740 -10.587 12.255 130 HB THR 12 HB THR 12 -9.260 -11.558 10.653 131 HG1 THR 12 HG1 THR 12 -9.018 -11.095 8.470 132 1HG2 THR 12 1HG2 THR 12 -8.861 -8.670 9.814 133 2HG2 THR 12 2HG2 THR 12 -10.332 -9.654 9.643 134 3HG2 THR 12 3HG2 THR 12 -9.750 -9.207 11.256 135 H GLY 13 H GLY 13 -5.070 -11.472 10.204 136 1HA GLY 13 1HA GLY 13 -3.934 -13.449 9.986 137 2HA GLY 13 2HA GLY 13 -5.026 -14.232 11.132 138 H ILE 14 H ILE 14 -7.501 -14.000 9.876 139 HA ILE 14 HA ILE 14 -7.481 -16.120 8.060 140 HB ILE 14 HB ILE 14 -9.694 -16.058 7.991 141 1HG1 ILE 14 1HG1 ILE 14 -11.179 -13.987 8.005 142 2HG1 ILE 14 2HG1 ILE 14 -9.762 -13.046 7.574 143 1HG2 ILE 14 1HG2 ILE 14 -9.066 -15.616 10.372 144 2HG2 ILE 14 2HG2 ILE 14 -9.477 -13.902 10.115 145 3HG2 ILE 14 3HG2 ILE 14 -10.716 -15.150 9.953 146 1HD1 ILE 14 1HD1 ILE 14 -9.691 -14.075 5.393 147 2HD1 ILE 14 2HD1 ILE 14 -10.664 -15.463 5.934 148 3HD1 ILE 14 3HD1 ILE 14 -11.407 -13.870 5.725 149 H ARG 15 H ARG 15 -7.198 -12.744 7.342 150 HA ARG 15 HA ARG 15 -7.431 -12.840 4.462 151 1HB ARG 15 1HB ARG 15 -6.015 -10.887 6.331 152 2HB ARG 15 2HB ARG 15 -6.276 -10.602 4.603 153 1HG ARG 15 1HG ARG 15 -8.638 -10.538 4.837 154 2HG ARG 15 2HG ARG 15 -8.605 -11.166 6.472 155 1HD ARG 15 1HD ARG 15 -7.294 -9.121 7.193 156 2HD ARG 15 2HD ARG 15 -7.600 -8.442 5.581 157 HE ARG 15 HE ARG 15 -10.075 -9.286 6.733 158 1HH1 ARG 15 1HH1 ARG 15 -7.745 -6.707 7.098 159 2HH1 ARG 15 2HH1 ARG 15 -8.889 -5.601 7.780 160 1HH2 ARG 15 1HH2 ARG 15 -11.540 -7.854 7.639 161 2HH2 ARG 15 2HH2 ARG 15 -11.021 -6.248 8.047 162 H GLU 16 H GLU 16 -4.800 -13.829 6.558 163 HA GLU 16 HA GLU 16 -2.595 -13.066 4.938 164 1HB GLU 16 1HB GLU 16 -2.703 -13.787 7.386 165 2HB GLU 16 2HB GLU 16 -2.770 -15.436 6.824 166 1HG GLU 16 1HG GLU 16 -0.568 -13.974 5.513 167 2HG GLU 16 2HG GLU 16 -0.479 -13.789 7.263 168 H ALA 17 H ALA 17 -4.416 -16.124 5.034 169 HA ALA 17 HA ALA 17 -3.042 -17.553 3.001 170 1HB ALA 17 1HB ALA 17 -5.961 -17.574 3.910 171 2HB ALA 17 2HB ALA 17 -5.226 -18.799 2.854 172 3HB ALA 17 3HB ALA 17 -4.641 -18.597 4.517 173 H THR 18 H THR 18 -5.487 -15.028 2.783 174 HA THR 18 HA THR 18 -5.966 -15.308 -0.112 175 HB THR 18 HB THR 18 -6.933 -13.474 2.090 176 HG1 THR 18 HG1 THR 18 -7.833 -15.554 1.648 177 1HG2 THR 18 1HG2 THR 18 -8.372 -12.341 0.483 178 2HG2 THR 18 2HG2 THR 18 -6.673 -11.967 0.197 179 3HG2 THR 18 3HG2 THR 18 -7.516 -13.138 -0.860 180 H LEU 19 H LEU 19 -4.253 -12.996 2.024 181 HA LEU 19 HA LEU 19 -3.177 -11.279 0.048 182 1HB LEU 19 1HB LEU 19 -2.171 -12.152 2.788 183 2HB LEU 19 2HB LEU 19 -1.402 -10.882 1.860 184 HG LEU 19 HG LEU 19 -4.356 -10.722 2.568 185 1HD1 LEU 19 1HD1 LEU 19 -3.184 -10.973 4.696 186 2HD1 LEU 19 2HD1 LEU 19 -2.000 -9.735 4.227 187 3HD1 LEU 19 3HD1 LEU 19 -3.704 -9.299 4.496 188 1HD2 LEU 19 1HD2 LEU 19 -3.331 -9.157 0.836 189 2HD2 LEU 19 2HD2 LEU 19 -4.145 -8.416 2.221 190 3HD2 LEU 19 3HD2 LEU 19 -2.371 -8.464 2.156 191 H ARG 20 H ARG 20 -1.609 -14.163 1.557 192 HA ARG 20 HA ARG 20 0.691 -14.074 -0.215 193 1HB ARG 20 1HB ARG 20 -0.431 -16.353 1.474 194 2HB ARG 20 2HB ARG 20 1.109 -16.390 0.598 195 1HG ARG 20 1HG ARG 20 1.819 -14.326 1.883 196 2HG ARG 20 2HG ARG 20 0.384 -14.517 2.896 197 1HD ARG 20 1HD ARG 20 2.602 -16.577 2.524 198 2HD ARG 20 2HD ARG 20 2.442 -15.480 3.901 199 HE ARG 20 HE ARG 20 0.197 -16.620 4.363 200 1HH1 ARG 20 1HH1 ARG 20 2.899 -18.488 3.135 201 2HH1 ARG 20 2HH1 ARG 20 2.313 -19.928 3.941 202 1HH2 ARG 20 1HH2 ARG 20 -0.335 -18.213 5.358 203 2HH2 ARG 20 2HH2 ARG 20 0.357 -19.838 5.159 204 H ALA 21 H ALA 21 -2.474 -15.741 -0.529 205 HA ALA 21 HA ALA 21 -1.800 -17.105 -2.957 206 1HB ALA 21 1HB ALA 21 -4.246 -17.136 -3.354 207 2HB ALA 21 2HB ALA 21 -3.816 -17.666 -1.719 208 3HB ALA 21 3HB ALA 21 -4.483 -16.041 -1.979 209 H TRP 22 H TRP 22 -3.279 -13.803 -2.468 210 HA TRP 22 HA TRP 22 -3.481 -13.127 -5.183 211 1HB TRP 22 1HB TRP 22 -2.756 -11.279 -2.907 212 2HB TRP 22 2HB TRP 22 -3.295 -10.816 -4.524 213 HD1 TRP 22 HD1 TRP 22 -5.752 -13.023 -4.522 214 HE1 TRP 22 HE1 TRP 22 -7.914 -12.187 -3.405 215 HE3 TRP 22 HE3 TRP 22 -3.784 -9.390 -1.534 216 HZ2 TRP 22 HZ2 TRP 22 -8.669 -10.206 -1.522 217 HZ3 TRP 22 HZ3 TRP 22 -5.256 -8.015 -0.082 218 HH2 TRP 22 HH2 TRP 22 -7.715 -8.408 -0.050 219 H GLU 23 H GLU 23 -0.579 -12.801 -3.111 220 HA GLU 23 HA GLU 23 1.121 -11.473 -4.900 221 1HB GLU 23 1HB GLU 23 2.464 -11.777 -3.198 222 2HB GLU 23 2HB GLU 23 1.372 -12.940 -2.467 223 1HG GLU 23 1HG GLU 23 2.488 -14.784 -3.745 224 2HG GLU 23 2HG GLU 23 3.627 -13.597 -4.409 225 H ARG 24 H ARG 24 0.034 -14.801 -5.080 226 HA ARG 24 HA ARG 24 1.735 -15.348 -7.465 227 1HB ARG 24 1HB ARG 24 1.392 -16.842 -5.283 228 2HB ARG 24 2HB ARG 24 -0.080 -17.360 -6.111 229 1HG ARG 24 1HG ARG 24 1.340 -18.056 -8.077 230 2HG ARG 24 2HG ARG 24 2.771 -17.502 -7.194 231 1HD ARG 24 1HD ARG 24 1.442 -19.218 -5.369 232 2HD ARG 24 2HD ARG 24 1.219 -19.996 -6.929 233 HE ARG 24 HE ARG 24 3.466 -20.519 -6.986 234 1HH1 ARG 24 1HH1 ARG 24 3.093 -18.046 -4.520 235 2HH1 ARG 24 2HH1 ARG 24 4.709 -18.217 -3.922 236 1HH2 ARG 24 1HH2 ARG 24 5.545 -20.736 -6.188 237 2HH2 ARG 24 2HH2 ARG 24 6.069 -19.741 -4.863 238 H ARG 25 H ARG 25 -1.456 -14.519 -6.657 239 HA ARG 25 HA ARG 25 -2.682 -15.687 -9.095 240 1HB ARG 25 1HB ARG 25 -3.460 -15.925 -6.626 241 2HB ARG 25 2HB ARG 25 -4.137 -14.310 -6.825 242 1HG ARG 25 1HG ARG 25 -5.602 -15.177 -8.638 243 2HG ARG 25 2HG ARG 25 -4.825 -16.771 -8.482 244 1HD ARG 25 1HD ARG 25 -5.493 -16.797 -6.049 245 2HD ARG 25 2HD ARG 25 -6.425 -15.318 -6.323 246 HE ARG 25 HE ARG 25 -7.372 -17.075 -8.230 247 1HH1 ARG 25 1HH1 ARG 25 -7.228 -17.124 -4.735 248 2HH1 ARG 25 2HH1 ARG 25 -8.550 -18.248 -4.570 249 1HH2 ARG 25 1HH2 ARG 25 -9.038 -18.579 -7.984 250 2HH2 ARG 25 2HH2 ARG 25 -9.547 -19.053 -6.394 251 H TYR 26 H TYR 26 -1.978 -12.513 -7.793 252 HA TYR 26 HA TYR 26 -2.698 -11.265 -10.394 253 1HB TYR 26 1HB TYR 26 -3.730 -10.000 -7.835 254 2HB TYR 26 2HB TYR 26 -4.073 -9.537 -9.490 255 HD1 TYR 26 HD1 TYR 26 -5.707 -10.866 -10.857 256 HD2 TYR 26 HD2 TYR 26 -4.890 -11.760 -6.723 257 HE1 TYR 26 HE1 TYR 26 -7.741 -12.305 -10.770 258 HE2 TYR 26 HE2 TYR 26 -6.915 -13.214 -6.652 259 HH TYR 26 HH TYR 26 -9.229 -13.437 -9.286 260 H GLY 27 H GLY 27 -1.161 -10.902 -7.189 261 1HA GLY 27 1HA GLY 27 0.926 -9.856 -6.841 262 2HA GLY 27 2HA GLY 27 0.678 -8.817 -8.238 263 H PHE 28 H PHE 28 -2.221 -8.695 -6.579 264 HA PHE 28 HA PHE 28 -1.597 -6.118 -5.297 265 1HB PHE 28 1HB PHE 28 -3.575 -6.192 -6.611 266 2HB PHE 28 2HB PHE 28 -4.103 -7.687 -5.870 267 HD1 PHE 28 HD1 PHE 28 -5.224 -7.740 -3.700 268 HD2 PHE 28 HD2 PHE 28 -3.909 -4.001 -5.414 269 HE1 PHE 28 HE1 PHE 28 -6.832 -6.518 -2.273 270 HE2 PHE 28 HE2 PHE 28 -5.468 -2.783 -3.942 271 HZ PHE 28 HZ PHE 28 -6.979 -4.037 -2.411 272 HA PRO 29 HA PRO 29 -1.800 -4.835 -3.532 273 1HB PRO 29 1HB PRO 29 -0.440 -4.175 -1.276 274 2HB PRO 29 2HB PRO 29 -2.206 -4.355 -1.338 275 1HG PRO 29 1HG PRO 29 -0.166 -6.422 -0.429 276 2HG PRO 29 2HG PRO 29 -1.649 -5.916 0.423 277 1HD PRO 29 1HD PRO 29 -1.553 -8.143 -1.162 278 2HD PRO 29 2HD PRO 29 -3.018 -7.124 -1.080 279 H ARG 30 H ARG 30 -0.033 -3.840 -4.344 280 HA ARG 30 HA ARG 30 2.121 -5.633 -5.264 281 1HB ARG 30 1HB ARG 30 2.729 -3.741 -6.776 282 2HB ARG 30 2HB ARG 30 1.119 -4.411 -6.993 283 1HG ARG 30 1HG ARG 30 0.110 -2.443 -6.604 284 2HG ARG 30 2HG ARG 30 1.006 -2.181 -5.115 285 1HD ARG 30 1HD ARG 30 2.926 -1.281 -6.356 286 2HD ARG 30 2HD ARG 30 2.054 -1.535 -7.875 287 HE ARG 30 HE ARG 30 0.864 0.392 -7.496 288 1HH1 ARG 30 1HH1 ARG 30 2.022 -0.549 -4.278 289 2HH1 ARG 30 2HH1 ARG 30 1.338 0.936 -3.600 290 1HH2 ARG 30 1HH2 ARG 30 0.016 2.192 -6.440 291 2HH2 ARG 30 2HH2 ARG 30 0.235 2.343 -4.714 292 HA PRO 31 HA PRO 31 4.795 -4.143 -1.992 293 1HB PRO 31 1HB PRO 31 7.183 -5.294 -2.773 294 2HB PRO 31 2HB PRO 31 5.844 -6.186 -1.985 295 1HG PRO 31 1HG PRO 31 6.459 -5.978 -4.947 296 2HG PRO 31 2HG PRO 31 6.092 -7.452 -3.992 297 1HD PRO 31 1HD PRO 31 4.192 -6.205 -5.458 298 2HD PRO 31 2HD PRO 31 3.790 -6.890 -3.852 299 H LEU 32 H LEU 32 6.172 -2.447 -1.676 300 HA LEU 32 HA LEU 32 5.983 -0.436 -3.645 301 1HB LEU 32 1HB LEU 32 7.538 -0.565 -1.033 302 2HB LEU 32 2HB LEU 32 7.367 0.913 -1.980 303 HG LEU 32 HG LEU 32 5.018 -0.655 -0.829 304 1HD1 LEU 32 1HD1 LEU 32 6.409 0.282 0.963 305 2HD1 LEU 32 2HD1 LEU 32 6.425 1.864 0.155 306 3HD1 LEU 32 3HD1 LEU 32 4.915 1.215 0.818 307 1HD2 LEU 32 1HD2 LEU 32 4.331 0.685 -2.755 308 2HD2 LEU 32 2HD2 LEU 32 3.748 1.421 -1.263 309 3HD2 LEU 32 3HD2 LEU 32 5.164 2.110 -2.088 310 H ARG 33 H ARG 33 9.128 -1.351 -2.257 311 HA ARG 33 HA ARG 33 10.511 -0.743 -4.834 312 1HB ARG 33 1HB ARG 33 11.316 -0.931 -1.927 313 2HB ARG 33 2HB ARG 33 12.506 -1.449 -3.084 314 1HG ARG 33 1HG ARG 33 11.328 1.187 -3.796 315 2HG ARG 33 2HG ARG 33 12.088 1.147 -2.204 316 1HD ARG 33 1HD ARG 33 14.113 0.038 -3.345 317 2HD ARG 33 2HD ARG 33 13.377 0.528 -4.885 318 HE ARG 33 HE ARG 33 13.475 2.803 -3.206 319 1HH1 ARG 33 1HH1 ARG 33 15.794 0.731 -4.803 320 2HH1 ARG 33 2HH1 ARG 33 17.074 1.912 -4.749 321 1HH2 ARG 33 1HH2 ARG 33 15.164 4.301 -3.117 322 2HH2 ARG 33 2HH2 ARG 33 16.702 3.893 -3.809 323 H SER 34 H SER 34 12.280 -2.295 -5.339 324 HA SER 34 HA SER 34 11.502 -5.079 -5.537 325 1HB SER 34 1HB SER 34 13.762 -3.360 -6.383 326 2HB SER 34 2HB SER 34 14.276 -4.976 -5.892 327 HG SER 34 HG SER 34 13.674 -4.989 -8.062 328 H GLU 35 H GLU 35 13.236 -6.736 -4.809 329 HA GLU 35 HA GLU 35 13.125 -7.050 -2.010 330 1HB GLU 35 1HB GLU 35 13.686 -8.660 -4.196 331 2HB GLU 35 2HB GLU 35 15.286 -8.480 -3.482 332 1HG GLU 35 1HG GLU 35 14.052 -9.088 -1.220 333 2HG GLU 35 2HG GLU 35 12.764 -9.659 -2.281 334 H GLY 36 H GLY 36 15.060 -7.553 -0.608 335 1HA GLY 36 1HA GLY 36 17.566 -6.848 -0.439 336 2HA GLY 36 2HA GLY 36 16.877 -5.219 -0.574 337 H ASN 37 H ASN 37 18.007 -5.143 1.613 338 HA ASN 37 HA ASN 37 17.155 -6.454 3.915 339 1HB ASN 37 1HB ASN 37 17.914 -3.504 3.764 340 2HB ASN 37 2HB ASN 37 18.048 -4.566 5.167 341 1HD2 ASN 37 1HD2 ASN 37 20.240 -3.043 4.296 342 2HD2 ASN 37 2HD2 ASN 37 21.393 -4.198 3.616 343 H ASN 38 H ASN 38 15.539 -3.799 2.259 344 HA ASN 38 HA ASN 38 13.603 -3.308 4.384 345 1HB ASN 38 1HB ASN 38 14.482 -1.801 2.242 346 2HB ASN 38 2HB ASN 38 12.951 -2.397 1.612 347 1HD2 ASN 38 1HD2 ASN 38 11.058 -2.245 3.507 348 2HD2 ASN 38 2HD2 ASN 38 11.176 -0.670 4.316 349 H TYR 39 H TYR 39 12.535 -5.160 4.882 350 HA TYR 39 HA TYR 39 11.581 -7.171 3.237 351 1HB TYR 39 1HB TYR 39 9.840 -6.197 5.488 352 2HB TYR 39 2HB TYR 39 10.231 -7.843 5.032 353 HD1 TYR 39 HD1 TYR 39 10.594 -5.554 7.569 354 HD2 TYR 39 HD2 TYR 39 13.045 -8.210 5.202 355 HE1 TYR 39 HE1 TYR 39 12.275 -5.660 9.410 356 HE2 TYR 39 HE2 TYR 39 14.722 -8.280 7.022 357 HH TYR 39 HH TYR 39 15.325 -7.439 9.090 358 H ARG 40 H ARG 40 9.279 -7.697 2.688 359 HA ARG 40 HA ARG 40 8.115 -5.921 0.831 360 1HB ARG 40 1HB ARG 40 7.190 -8.466 2.161 361 2HB ARG 40 2HB ARG 40 6.119 -7.589 1.055 362 1HG ARG 40 1HG ARG 40 7.601 -7.785 -0.784 363 2HG ARG 40 2HG ARG 40 8.957 -8.298 0.225 364 1HD ARG 40 1HD ARG 40 8.392 -10.445 0.106 365 2HD ARG 40 2HD ARG 40 6.745 -10.137 0.632 366 HE ARG 40 HE ARG 40 7.686 -10.572 -2.074 367 1HH1 ARG 40 1HH1 ARG 40 4.985 -9.063 -0.340 368 2HH1 ARG 40 2HH1 ARG 40 3.855 -9.674 -1.525 369 1HH2 ARG 40 1HH2 ARG 40 6.112 -11.177 -3.525 370 2HH2 ARG 40 2HH2 ARG 40 4.732 -11.549 -2.589 371 H VAL 41 H VAL 41 7.984 -4.007 1.842 372 HA VAL 41 HA VAL 41 5.746 -3.430 3.636 373 HB VAL 41 HB VAL 41 6.631 -1.052 3.481 374 1HG1 VAL 41 1HG1 VAL 41 7.043 -2.381 5.403 375 2HG1 VAL 41 2HG1 VAL 41 8.398 -3.231 4.622 376 3HG1 VAL 41 3HG1 VAL 41 8.519 -1.497 5.005 377 1HG2 VAL 41 1HG2 VAL 41 8.789 -0.586 2.644 378 2HG2 VAL 41 2HG2 VAL 41 9.136 -2.286 2.297 379 3HG2 VAL 41 3HG2 VAL 41 7.941 -1.418 1.329 380 H TYR 42 H TYR 42 4.377 -1.733 3.337 381 HA TYR 42 HA TYR 42 3.308 -1.174 0.628 382 1HB TYR 42 1HB TYR 42 2.017 -2.462 3.077 383 2HB TYR 42 2HB TYR 42 1.089 -1.839 1.715 384 HD1 TYR 42 HD1 TYR 42 1.743 -2.621 -0.644 385 HD2 TYR 42 HD2 TYR 42 2.829 -4.749 2.950 386 HE1 TYR 42 HE1 TYR 42 2.044 -4.655 -1.929 387 HE2 TYR 42 HE2 TYR 42 3.109 -6.837 1.591 388 HH TYR 42 HH TYR 42 2.040 -6.930 -1.807 389 H SER 43 H SER 43 1.638 0.395 0.638 390 HA SER 43 HA SER 43 1.946 2.552 2.670 391 1HB SER 43 1HB SER 43 1.020 2.538 -0.224 392 2HB SER 43 2HB SER 43 0.902 3.952 0.848 393 HG SER 43 HG SER 43 2.813 3.908 -0.436 394 H ARG 44 H ARG 44 0.089 3.731 3.278 395 HA ARG 44 HA ARG 44 -2.162 2.308 4.167 396 1HB ARG 44 1HB ARG 44 -1.180 4.628 4.860 397 2HB ARG 44 2HB ARG 44 -2.161 5.274 3.557 398 1HG ARG 44 1HG ARG 44 -3.607 5.574 5.270 399 2HG ARG 44 2HG ARG 44 -4.146 3.969 4.807 400 1HD ARG 44 1HD ARG 44 -3.315 2.981 6.725 401 2HD ARG 44 2HD ARG 44 -1.926 4.054 6.839 402 HE ARG 44 HE ARG 44 -4.493 4.411 8.110 403 1HH1 ARG 44 1HH1 ARG 44 -1.794 6.239 6.865 404 2HH1 ARG 44 2HH1 ARG 44 -2.129 7.649 7.836 405 1HH2 ARG 44 1HH2 ARG 44 -4.909 6.247 9.361 406 2HH2 ARG 44 2HH2 ARG 44 -3.865 7.627 9.227 407 H GLU 45 H GLU 45 -1.759 4.050 1.109 408 HA GLU 45 HA GLU 45 -4.396 4.010 0.098 409 1HB GLU 45 1HB GLU 45 -3.240 3.951 -2.168 410 2HB GLU 45 2HB GLU 45 -2.828 5.287 -1.097 411 1HG GLU 45 1HG GLU 45 -0.674 4.546 -0.694 412 2HG GLU 45 2HG GLU 45 -1.036 2.866 -1.026 413 H GLU 46 H GLU 46 -1.874 1.503 -0.425 414 HA GLU 46 HA GLU 46 -3.603 -0.377 -1.749 415 1HB GLU 46 1HB GLU 46 -0.939 -0.572 -0.286 416 2HB GLU 46 2HB GLU 46 -1.734 -2.005 -0.925 417 1HG GLU 46 1HG GLU 46 -1.085 0.406 -2.667 418 2HG GLU 46 2HG GLU 46 0.045 -0.913 -2.383 419 H VAL 47 H VAL 47 -2.592 0.013 1.669 420 HA VAL 47 HA VAL 47 -4.023 -2.230 2.686 421 HB VAL 47 HB VAL 47 -3.153 0.337 4.041 422 1HG1 VAL 47 1HG1 VAL 47 -3.499 -0.925 6.190 423 2HG1 VAL 47 2HG1 VAL 47 -5.011 -0.506 5.382 424 3HG1 VAL 47 3HG1 VAL 47 -4.383 -2.167 5.272 425 1HG2 VAL 47 1HG2 VAL 47 -1.365 -1.221 3.240 426 2HG2 VAL 47 2HG2 VAL 47 -1.441 -1.186 5.009 427 3HG2 VAL 47 3HG2 VAL 47 -2.167 -2.536 4.111 428 H GLU 48 H GLU 48 -5.224 1.139 2.217 429 HA GLU 48 HA GLU 48 -7.800 0.816 3.322 430 1HB GLU 48 1HB GLU 48 -6.767 2.956 2.465 431 2HB GLU 48 2HB GLU 48 -7.028 2.383 0.820 432 1HG GLU 48 1HG GLU 48 -8.802 3.883 1.293 433 2HG GLU 48 2HG GLU 48 -9.506 2.271 1.312 434 H ALA 49 H ALA 49 -6.819 0.306 -0.091 435 HA ALA 49 HA ALA 49 -9.265 -0.809 -1.012 436 1HB ALA 49 1HB ALA 49 -6.408 -1.276 -1.981 437 2HB ALA 49 2HB ALA 49 -7.890 -1.681 -2.873 438 3HB ALA 49 3HB ALA 49 -7.506 0.015 -2.511 439 H VAL 50 H VAL 50 -6.303 -2.505 0.127 440 HA VAL 50 HA VAL 50 -7.225 -5.170 -0.068 441 HB VAL 50 HB VAL 50 -5.236 -3.823 1.777 442 1HG1 VAL 50 1HG1 VAL 50 -5.939 -6.767 1.629 443 2HG1 VAL 50 2HG1 VAL 50 -4.347 -6.173 2.149 444 3HG1 VAL 50 3HG1 VAL 50 -5.790 -5.735 3.067 445 1HG2 VAL 50 1HG2 VAL 50 -3.596 -4.788 0.362 446 2HG2 VAL 50 2HG2 VAL 50 -4.795 -5.771 -0.518 447 3HG2 VAL 50 3HG2 VAL 50 -4.755 -4.017 -0.717 448 H ARG 51 H ARG 51 -7.441 -2.995 2.776 449 HA ARG 51 HA ARG 51 -8.802 -4.734 4.555 450 1HB ARG 51 1HB ARG 51 -7.745 -2.538 5.113 451 2HB ARG 51 2HB ARG 51 -9.020 -1.711 4.218 452 1HG ARG 51 1HG ARG 51 -10.682 -2.790 5.879 453 2HG ARG 51 2HG ARG 51 -9.256 -3.326 6.780 454 1HD ARG 51 1HD ARG 51 -9.981 -1.306 7.788 455 2HD ARG 51 2HD ARG 51 -8.509 -0.905 6.890 456 HE ARG 51 HE ARG 51 -10.332 -0.203 5.044 457 1HH1 ARG 51 1HH1 ARG 51 -10.329 0.613 8.444 458 2HH1 ARG 51 2HH1 ARG 51 -11.326 2.023 8.182 459 1HH2 ARG 51 1HH2 ARG 51 -11.089 1.859 4.855 460 2HH2 ARG 51 2HH2 ARG 51 -12.046 2.529 6.141 461 H ARG 52 H ARG 52 -10.118 -2.453 2.125 462 HA ARG 52 HA ARG 52 -12.872 -3.118 2.559 463 1HB ARG 52 1HB ARG 52 -11.705 -1.158 1.143 464 2HB ARG 52 2HB ARG 52 -11.929 -2.299 -0.191 465 1HG ARG 52 1HG ARG 52 -14.391 -2.493 0.632 466 2HG ARG 52 2HG ARG 52 -14.015 -1.114 1.680 467 1HD ARG 52 1HD ARG 52 -13.227 0.073 -0.490 468 2HD ARG 52 2HD ARG 52 -14.048 -1.246 -1.353 469 HE ARG 52 HE ARG 52 -15.731 -0.020 0.663 470 1HH1 ARG 52 1HH1 ARG 52 -14.666 0.460 -2.638 471 2HH1 ARG 52 2HH1 ARG 52 -15.960 1.550 -3.026 472 1HH2 ARG 52 1HH2 ARG 52 -17.371 1.404 0.157 473 2HH2 ARG 52 2HH2 ARG 52 -17.470 2.067 -1.445 474 H VAL 53 H VAL 53 -10.642 -4.322 0.022 475 HA VAL 53 HA VAL 53 -12.313 -6.241 -1.197 476 HB VAL 53 HB VAL 53 -9.301 -6.368 -0.750 477 1HG1 VAL 53 1HG1 VAL 53 -9.337 -7.959 -2.702 478 2HG1 VAL 53 2HG1 VAL 53 -10.035 -8.579 -1.206 479 3HG1 VAL 53 3HG1 VAL 53 -11.102 -8.071 -2.504 480 1HG2 VAL 53 1HG2 VAL 53 -11.000 -4.928 -2.715 481 2HG2 VAL 53 2HG2 VAL 53 -9.338 -4.637 -2.211 482 3HG2 VAL 53 3HG2 VAL 53 -9.663 -5.851 -3.429 483 H ALA 54 H ALA 54 -10.138 -6.734 1.617 484 HA ALA 54 HA ALA 54 -10.803 -9.434 2.124 485 1HB ALA 54 1HB ALA 54 -9.946 -8.899 4.365 486 2HB ALA 54 2HB ALA 54 -8.858 -8.351 3.070 487 3HB ALA 54 3HB ALA 54 -9.875 -7.180 3.948 488 H ARG 55 H ARG 55 -12.349 -6.441 3.471 489 HA ARG 55 HA ARG 55 -14.261 -7.981 5.032 490 1HB ARG 55 1HB ARG 55 -13.509 -5.285 4.900 491 2HB ARG 55 2HB ARG 55 -15.147 -5.259 4.270 492 1HG ARG 55 1HG ARG 55 -14.250 -6.524 6.907 493 2HG ARG 55 2HG ARG 55 -14.938 -4.911 6.763 494 1HD ARG 55 1HD ARG 55 -16.373 -7.499 6.055 495 2HD ARG 55 2HD ARG 55 -16.560 -6.616 7.571 496 HE ARG 55 HE ARG 55 -17.204 -4.678 5.781 497 1HH1 ARG 55 1HH1 ARG 55 -18.355 -8.017 6.003 498 2HH1 ARG 55 2HH1 ARG 55 -19.808 -7.600 5.090 499 1HH2 ARG 55 1HH2 ARG 55 -19.272 -4.307 4.743 500 2HH2 ARG 55 2HH2 ARG 55 -20.277 -5.743 4.513 501 H LEU 56 H LEU 56 -14.327 -6.688 1.739 502 HA LEU 56 HA LEU 56 -16.973 -7.505 1.040 503 1HB LEU 56 1HB LEU 56 -14.542 -6.562 -0.322 504 2HB LEU 56 2HB LEU 56 -15.230 -7.886 -1.184 505 HG LEU 56 HG LEU 56 -16.059 -5.972 -2.186 506 1HD1 LEU 56 1HD1 LEU 56 -17.788 -7.776 -1.720 507 2HD1 LEU 56 2HD1 LEU 56 -18.405 -6.738 -0.417 508 3HD1 LEU 56 3HD1 LEU 56 -18.417 -6.159 -2.087 509 1HD2 LEU 56 1HD2 LEU 56 -16.904 -4.935 0.543 510 2HD2 LEU 56 2HD2 LEU 56 -15.555 -4.346 -0.455 511 3HD2 LEU 56 3HD2 LEU 56 -17.222 -4.148 -1.023 512 H ILE 57 H ILE 57 -13.876 -9.293 0.877 513 HA ILE 57 HA ILE 57 -14.883 -11.731 -0.147 514 HB ILE 57 HB ILE 57 -12.481 -10.930 1.466 515 1HG1 ILE 57 1HG1 ILE 57 -12.747 -12.267 -1.255 516 2HG1 ILE 57 2HG1 ILE 57 -12.879 -10.526 -1.035 517 1HG2 ILE 57 1HG2 ILE 57 -13.077 -13.833 0.767 518 2HG2 ILE 57 2HG2 ILE 57 -11.506 -13.203 1.284 519 3HG2 ILE 57 3HG2 ILE 57 -12.868 -13.148 2.388 520 1HD1 ILE 57 1HD1 ILE 57 -10.666 -10.998 -1.696 521 2HD1 ILE 57 2HD1 ILE 57 -10.619 -10.479 0.003 522 3HD1 ILE 57 3HD1 ILE 57 -10.442 -12.199 -0.412 523 H GLN 58 H GLN 58 -15.040 -10.559 3.195 524 HA GLN 58 HA GLN 58 -16.128 -13.031 4.239 525 1HB GLN 58 1HB GLN 58 -15.791 -10.232 5.200 526 2HB GLN 58 2HB GLN 58 -17.191 -11.059 5.866 527 1HG GLN 58 1HG GLN 58 -14.338 -12.131 5.949 528 2HG GLN 58 2HG GLN 58 -15.169 -11.299 7.267 529 1HE2 GLN 58 1HE2 GLN 58 -14.687 -14.451 5.775 530 2HE2 GLN 58 2HE2 GLN 58 -15.927 -15.205 6.786 531 H GLU 59 H GLU 59 -17.585 -10.773 2.033 532 HA GLU 59 HA GLU 59 -20.327 -11.523 2.838 533 1HB GLU 59 1HB GLU 59 -19.492 -9.971 0.383 534 2HB GLU 59 2HB GLU 59 -21.067 -10.019 1.133 535 1HG GLU 59 1HG GLU 59 -18.959 -8.946 2.954 536 2HG GLU 59 2HG GLU 59 -19.080 -8.079 1.444 537 H GLU 60 H GLU 60 -17.936 -12.405 0.406 538 HA GLU 60 HA GLU 60 -19.527 -14.772 -0.357 539 1HB GLU 60 1HB GLU 60 -19.417 -12.406 -2.133 540 2HB GLU 60 2HB GLU 60 -18.761 -13.844 -2.902 541 1HG GLU 60 1HG GLU 60 -20.874 -15.080 -2.122 542 2HG GLU 60 2HG GLU 60 -21.555 -13.478 -1.803 543 H GLY 61 H GLY 61 -16.563 -12.926 -1.068 544 1HA GLY 61 1HA GLY 61 -14.370 -13.910 -0.969 545 2HA GLY 61 2HA GLY 61 -15.037 -15.482 -1.374 546 H LEU 62 H LEU 62 -16.659 -14.340 -3.619 547 HA LEU 62 HA LEU 62 -15.049 -14.476 -5.907 548 1HB LEU 62 1HB LEU 62 -17.380 -14.615 -6.132 549 2HB LEU 62 2HB LEU 62 -17.668 -13.149 -5.206 550 HG LEU 62 HG LEU 62 -16.939 -11.745 -7.048 551 1HD1 LEU 62 1HD1 LEU 62 -16.676 -12.787 -9.347 552 2HD1 LEU 62 2HD1 LEU 62 -15.309 -13.066 -8.287 553 3HD1 LEU 62 3HD1 LEU 62 -16.493 -14.365 -8.556 554 1HD2 LEU 62 1HD2 LEU 62 -18.829 -12.131 -8.500 555 2HD2 LEU 62 2HD2 LEU 62 -18.952 -13.824 -7.966 556 3HD2 LEU 62 3HD2 LEU 62 -19.300 -12.503 -6.831 557 H SER 63 H SER 63 -15.701 -11.624 -3.898 558 HA SER 63 HA SER 63 -14.383 -9.632 -5.305 559 1HB SER 63 1HB SER 63 -14.684 -10.123 -2.339 560 2HB SER 63 2HB SER 63 -13.980 -8.634 -3.000 561 HG SER 63 HG SER 63 -15.918 -8.274 -4.114 562 H VAL 64 H VAL 64 -12.727 -12.409 -3.958 563 HA VAL 64 HA VAL 64 -10.057 -11.366 -3.859 564 HB VAL 64 HB VAL 64 -11.206 -14.052 -4.706 565 1HG1 VAL 64 1HG1 VAL 64 -8.714 -14.816 -4.638 566 2HG1 VAL 64 2HG1 VAL 64 -9.331 -14.051 -6.101 567 3HG1 VAL 64 3HG1 VAL 64 -8.352 -13.111 -4.976 568 1HG2 VAL 64 1HG2 VAL 64 -9.417 -13.170 -2.394 569 2HG2 VAL 64 2HG2 VAL 64 -11.139 -13.604 -2.301 570 3HG2 VAL 64 3HG2 VAL 64 -9.948 -14.834 -2.704 571 H SER 65 H SER 65 -11.912 -12.594 -6.694 572 HA SER 65 HA SER 65 -9.909 -11.377 -8.520 573 1HB SER 65 1HB SER 65 -11.950 -13.406 -8.798 574 2HB SER 65 2HB SER 65 -12.337 -12.073 -9.899 575 HG SER 65 HG SER 65 -10.877 -12.985 -11.083 576 H GLU 66 H GLU 66 -13.318 -10.901 -7.536 577 HA GLU 66 HA GLU 66 -13.708 -8.909 -9.458 578 1HB GLU 66 1HB GLU 66 -15.311 -10.363 -7.668 579 2HB GLU 66 2HB GLU 66 -15.574 -8.693 -7.193 580 1HG GLU 66 1HG GLU 66 -17.211 -9.210 -8.824 581 2HG GLU 66 2HG GLU 66 -16.047 -8.150 -9.620 582 H ALA 67 H ALA 67 -12.887 -8.371 -5.968 583 HA ALA 67 HA ALA 67 -13.292 -5.498 -6.350 584 1HB ALA 67 1HB ALA 67 -13.855 -6.620 -4.225 585 2HB ALA 67 2HB ALA 67 -12.116 -6.907 -3.972 586 3HB ALA 67 3HB ALA 67 -12.750 -5.250 -4.066 587 H ILE 68 H ILE 68 -10.611 -7.790 -6.555 588 HA ILE 68 HA ILE 68 -8.505 -5.798 -6.796 589 HB ILE 68 HB ILE 68 -8.665 -8.683 -7.735 590 1HG1 ILE 68 1HG1 ILE 68 -7.149 -7.192 -5.546 591 2HG1 ILE 68 2HG1 ILE 68 -8.513 -8.271 -5.290 592 1HG2 ILE 68 1HG2 ILE 68 -7.206 -7.428 -9.316 593 2HG2 ILE 68 2HG2 ILE 68 -6.308 -6.741 -7.940 594 3HG2 ILE 68 3HG2 ILE 68 -6.259 -8.482 -8.302 595 1HD1 ILE 68 1HD1 ILE 68 -6.497 -9.417 -4.683 596 2HD1 ILE 68 2HD1 ILE 68 -7.120 -10.181 -6.151 597 3HD1 ILE 68 3HD1 ILE 68 -5.736 -9.092 -6.238 598 H ALA 69 H ALA 69 -10.422 -7.630 -9.279 599 HA ALA 69 HA ALA 69 -9.513 -6.180 -11.513 600 1HB ALA 69 1HB ALA 69 -10.773 -8.282 -11.653 601 2HB ALA 69 2HB ALA 69 -12.230 -7.477 -11.029 602 3HB ALA 69 3HB ALA 69 -11.561 -7.011 -12.609 603 H GLN 70 H GLN 70 -12.334 -5.442 -9.381 604 HA GLN 70 HA GLN 70 -13.084 -2.977 -10.540 605 1HB GLN 70 1HB GLN 70 -13.193 -3.957 -7.698 606 2HB GLN 70 2HB GLN 70 -13.812 -2.382 -8.168 607 1HG GLN 70 1HG GLN 70 -15.502 -3.263 -9.544 608 2HG GLN 70 2HG GLN 70 -14.740 -4.841 -9.674 609 1HE2 GLN 70 1HE2 GLN 70 -16.143 -6.321 -8.702 610 2HE2 GLN 70 2HE2 GLN 70 -16.909 -5.981 -7.142 611 H VAL 71 H VAL 71 -10.808 -3.250 -7.639 612 HA VAL 71 HA VAL 71 -10.195 -0.485 -7.898 613 HB VAL 71 HB VAL 71 -9.920 -1.929 -5.855 614 1HG1 VAL 71 1HG1 VAL 71 -7.129 -2.460 -6.959 615 2HG1 VAL 71 2HG1 VAL 71 -7.783 -2.937 -5.378 616 3HG1 VAL 71 3HG1 VAL 71 -8.429 -3.662 -6.853 617 1HG2 VAL 71 1HG2 VAL 71 -9.244 0.447 -5.989 618 2HG2 VAL 71 2HG2 VAL 71 -8.217 -0.497 -4.902 619 3HG2 VAL 71 3HG2 VAL 71 -7.619 -0.050 -6.507 620 H LYS 72 H LYS 72 -8.779 -3.153 -9.668 621 HA LYS 72 HA LYS 72 -6.593 -1.509 -10.759 622 1HB LYS 72 1HB LYS 72 -7.748 -4.190 -11.629 623 2HB LYS 72 2HB LYS 72 -6.335 -3.436 -12.349 624 1HG LYS 72 1HG LYS 72 -6.006 -3.599 -9.427 625 2HG LYS 72 2HG LYS 72 -6.442 -5.164 -10.104 626 1HD LYS 72 1HD LYS 72 -4.089 -5.109 -10.084 627 2HD LYS 72 2HD LYS 72 -4.576 -4.937 -11.766 628 1HE LYS 72 1HE LYS 72 -3.351 -3.062 -11.918 629 2HE LYS 72 2HE LYS 72 -4.453 -2.282 -10.778 630 1HZ LYS 72 1HZ LYS 72 -2.045 -3.836 -10.030 631 2HZ LYS 72 2HZ LYS 72 -2.160 -2.195 -10.013 632 3HZ LYS 72 3HZ LYS 72 -3.062 -3.093 -8.971 633 H THR 73 H THR 73 -9.908 -2.267 -11.839 634 HA THR 73 HA THR 73 -9.452 -0.822 -14.388 635 HB THR 73 HB THR 73 -10.751 -3.044 -14.059 636 HG1 THR 73 HG1 THR 73 -12.135 -2.359 -15.787 637 1HG2 THR 73 1HG2 THR 73 -13.117 -2.917 -13.785 638 2HG2 THR 73 2HG2 THR 73 -12.420 -2.082 -12.391 639 3HG2 THR 73 3HG2 THR 73 -13.101 -1.140 -13.726 640 H GLU 74 H GLU 74 -10.756 -0.135 -11.257 641 HA GLU 74 HA GLU 74 -12.458 2.015 -11.641 642 1HB GLU 74 1HB GLU 74 -10.468 1.245 -9.517 643 2HB GLU 74 2HB GLU 74 -11.208 2.829 -9.424 644 1HG GLU 74 1HG GLU 74 -13.224 0.724 -9.913 645 2HG GLU 74 2HG GLU 74 -12.285 0.431 -8.454 646 HA PRO 75 HA PRO 75 -9.748 4.881 -13.707 647 1HB PRO 75 1HB PRO 75 -11.297 7.147 -13.695 648 2HB PRO 75 2HB PRO 75 -11.602 5.727 -14.742 649 1HG PRO 75 1HG PRO 75 -12.909 6.397 -12.090 650 2HG PRO 75 2HG PRO 75 -13.695 5.877 -13.615 651 1HD PRO 75 1HD PRO 75 -13.134 4.138 -11.587 652 2HD PRO 75 2HD PRO 75 -13.020 3.641 -13.304 653 HA PRO 76 HA PRO 76 -7.948 6.395 -9.847 654 1HB PRO 76 1HB PRO 76 -5.540 7.343 -10.772 655 2HB PRO 76 2HB PRO 76 -5.909 5.600 -10.591 656 1HG PRO 76 1HG PRO 76 -6.114 7.295 -13.102 657 2HG PRO 76 2HG PRO 76 -5.311 5.703 -12.907 658 1HD PRO 76 1HD PRO 76 -7.829 5.916 -13.895 659 2HD PRO 76 2HD PRO 76 -7.394 4.571 -12.792 660 H ARG 77 H ARG 77 -7.987 8.315 -8.771 661 HA ARG 77 HA ARG 77 -7.914 10.869 -10.219 662 1HB ARG 77 1HB ARG 77 -10.373 9.711 -9.837 663 2HB ARG 77 2HB ARG 77 -10.229 10.564 -8.319 664 1HG ARG 77 1HG ARG 77 -10.860 12.467 -9.347 665 2HG ARG 77 2HG ARG 77 -9.405 12.432 -10.341 666 1HD ARG 77 1HD ARG 77 -10.631 10.797 -11.883 667 2HD ARG 77 2HD ARG 77 -12.103 11.152 -10.978 668 HE ARG 77 HE ARG 77 -10.817 12.759 -12.998 669 1HH1 ARG 77 1HH1 ARG 77 -12.769 13.161 -10.135 670 2HH1 ARG 77 2HH1 ARG 77 -13.417 14.700 -10.634 671 1HH2 ARG 77 1HH2 ARG 77 -11.654 14.729 -13.628 672 2HH2 ARG 77 2HH2 ARG 77 -12.781 15.562 -12.602 673 H GLU 78 H GLU 78 -6.387 11.939 -9.169 674 HA GLU 78 HA GLU 78 -6.051 11.856 -6.235 675 1HB GLU 78 1HB GLU 78 -4.128 12.061 -8.006 676 2HB GLU 78 2HB GLU 78 -4.671 13.734 -8.179 677 1HG GLU 78 1HG GLU 78 -4.378 13.943 -5.627 678 2HG GLU 78 2HG GLU 78 -3.654 12.337 -5.663 Start of MODEL 17 1 1H GLY -2 1H GLY -2 0.551 16.827 7.647 2 2H GLY -2 2H GLY -2 0.225 15.746 8.827 3 3H GLY -2 3H GLY -2 1.443 16.846 9.040 4 1HA GLY -2 1HA GLY -2 2.736 15.861 7.292 5 2HA GLY -2 2HA GLY -2 2.300 14.609 8.485 6 H SER -1 H SER -1 2.455 12.949 6.743 7 HA SER -1 HA SER -1 -0.093 12.587 5.411 8 1HB SER -1 1HB SER -1 1.857 14.073 3.930 9 2HB SER -1 2HB SER -1 1.750 12.486 3.169 10 HG SER -1 HG SER -1 -0.541 12.787 3.092 11 H HIS 0 H HIS 0 3.257 11.366 5.656 12 HA HIS 0 HA HIS 0 2.655 9.220 3.791 13 1HB HIS 0 1HB HIS 0 5.163 9.066 3.788 14 2HB HIS 0 2HB HIS 0 4.543 10.672 3.440 15 HD1 HIS 0 HD1 HIS 0 5.606 8.881 6.722 16 HD2 HIS 0 HD2 HIS 0 5.731 12.593 4.745 17 HE1 HIS 0 HE1 HIS 0 7.048 10.438 8.208 18 HE2 HIS 0 HE2 HIS 0 7.061 12.725 7.014 19 H MET 1 H MET 1 3.102 6.958 3.985 20 HA MET 1 HA MET 1 4.322 5.918 6.384 21 1HB MET 1 1HB MET 1 1.705 6.324 6.792 22 2HB MET 1 2HB MET 1 1.546 4.804 5.914 23 1HG MET 1 1HG MET 1 2.842 3.636 7.577 24 2HG MET 1 2HG MET 1 3.438 5.148 8.269 25 1HE MET 1 1HE MET 1 1.236 5.884 11.094 26 2HE MET 1 2HE MET 1 2.855 5.277 10.686 27 3HE MET 1 3HE MET 1 2.202 6.701 9.844 28 H THR 2 H THR 2 4.466 3.498 6.359 29 HA THR 2 HA THR 2 4.130 2.036 3.812 30 HB THR 2 HB THR 2 6.402 1.034 4.128 31 HG1 THR 2 HG1 THR 2 6.432 1.883 6.370 32 1HG2 THR 2 1HG2 THR 2 6.160 2.847 2.452 33 2HG2 THR 2 2HG2 THR 2 6.606 4.038 3.699 34 3HG2 THR 2 3HG2 THR 2 7.771 2.798 3.197 35 H LEU 3 H LEU 3 3.549 -0.137 4.283 36 HA LEU 3 HA LEU 3 3.867 -1.084 7.108 37 1HB LEU 3 1HB LEU 3 1.292 -1.375 5.509 38 2HB LEU 3 2HB LEU 3 1.605 -1.848 7.169 39 HG LEU 3 HG LEU 3 2.071 0.752 7.530 40 1HD1 LEU 3 1HD1 LEU 3 1.694 1.424 5.108 41 2HD1 LEU 3 2HD1 LEU 3 0.051 0.810 5.234 42 3HD1 LEU 3 3HD1 LEU 3 0.568 2.183 6.229 43 1HD2 LEU 3 1HD2 LEU 3 0.343 -0.477 8.704 44 2HD2 LEU 3 2HD2 LEU 3 -0.316 1.049 8.123 45 3HD2 LEU 3 3HD2 LEU 3 -0.705 -0.463 7.267 46 H ARG 4 H ARG 4 3.447 -3.541 7.296 47 HA ARG 4 HA ARG 4 4.759 -4.913 4.959 48 1HB ARG 4 1HB ARG 4 4.645 -5.703 7.896 49 2HB ARG 4 2HB ARG 4 5.512 -6.575 6.630 50 1HG ARG 4 1HG ARG 4 7.083 -4.742 6.333 51 2HG ARG 4 2HG ARG 4 6.156 -3.714 7.437 52 1HD ARG 4 1HD ARG 4 6.560 -5.765 9.127 53 2HD ARG 4 2HD ARG 4 7.912 -6.087 8.049 54 HE ARG 4 HE ARG 4 9.009 -4.228 8.915 55 1HH1 ARG 4 1HH1 ARG 4 5.632 -3.917 9.806 56 2HH1 ARG 4 2HH1 ARG 4 5.929 -2.581 10.886 57 1HH2 ARG 4 1HH2 ARG 4 9.340 -2.495 10.307 58 2HH2 ARG 4 2HH2 ARG 4 7.992 -1.793 11.142 59 H ILE 5 H ILE 5 4.178 -7.215 4.622 60 HA ILE 5 HA ILE 5 1.423 -7.746 4.378 61 HB ILE 5 HB ILE 5 3.416 -8.935 3.296 62 1HG1 ILE 5 1HG1 ILE 5 1.219 -9.509 2.641 63 2HG1 ILE 5 2HG1 ILE 5 2.183 -10.964 2.798 64 1HG2 ILE 5 1HG2 ILE 5 4.620 -9.727 5.231 65 2HG2 ILE 5 2HG2 ILE 5 3.264 -10.799 5.681 66 3HG2 ILE 5 3HG2 ILE 5 4.146 -11.059 4.176 67 1HD1 ILE 5 1HD1 ILE 5 -0.100 -10.028 4.546 68 2HD1 ILE 5 2HD1 ILE 5 0.059 -11.522 3.640 69 3HD1 ILE 5 3HD1 ILE 5 1.031 -11.295 5.100 70 H ARG 6 H ARG 6 3.547 -8.771 7.033 71 HA ARG 6 HA ARG 6 1.674 -9.990 8.759 72 1HB ARG 6 1HB ARG 6 4.168 -8.319 9.291 73 2HB ARG 6 2HB ARG 6 3.211 -9.013 10.606 74 1HG ARG 6 1HG ARG 6 3.518 -11.273 9.724 75 2HG ARG 6 2HG ARG 6 4.453 -10.652 8.352 76 1HD ARG 6 1HD ARG 6 6.225 -9.876 9.797 77 2HD ARG 6 2HD ARG 6 5.278 -10.179 11.251 78 HE ARG 6 HE ARG 6 6.763 -12.130 9.646 79 1HH1 ARG 6 1HH1 ARG 6 4.303 -11.816 12.110 80 2HH1 ARG 6 2HH1 ARG 6 4.458 -13.470 12.640 81 1HH2 ARG 6 1HH2 ARG 6 6.928 -14.261 10.347 82 2HH2 ARG 6 2HH2 ARG 6 5.922 -14.811 11.648 83 H THR 7 H THR 7 2.255 -6.501 8.292 84 HA THR 7 HA THR 7 0.491 -5.665 10.421 85 HB THR 7 HB THR 7 1.316 -3.969 8.042 86 HG1 THR 7 HG1 THR 7 2.768 -4.292 10.421 87 1HG2 THR 7 1HG2 THR 7 -0.247 -2.910 9.587 88 2HG2 THR 7 2HG2 THR 7 0.722 -3.409 10.988 89 3HG2 THR 7 3HG2 THR 7 1.360 -2.208 9.850 90 H ILE 8 H ILE 8 0.102 -5.999 6.844 91 HA ILE 8 HA ILE 8 -2.648 -5.096 6.851 92 HB ILE 8 HB ILE 8 -1.490 -7.108 4.880 93 1HG1 ILE 8 1HG1 ILE 8 -1.205 -4.092 4.994 94 2HG1 ILE 8 2HG1 ILE 8 0.052 -5.301 4.803 95 1HG2 ILE 8 1HG2 ILE 8 -4.009 -6.719 4.937 96 2HG2 ILE 8 2HG2 ILE 8 -3.694 -5.011 4.577 97 3HG2 ILE 8 3HG2 ILE 8 -3.232 -6.287 3.429 98 1HD1 ILE 8 1HD1 ILE 8 -1.972 -4.551 2.661 99 2HD1 ILE 8 2HD1 ILE 8 -0.269 -4.134 2.718 100 3HD1 ILE 8 3HD1 ILE 8 -0.741 -5.837 2.525 101 H ALA 9 H ALA 9 -1.232 -8.402 6.991 102 HA ALA 9 HA ALA 9 -3.667 -9.811 7.230 103 1HB ALA 9 1HB ALA 9 -1.453 -10.805 6.686 104 2HB ALA 9 2HB ALA 9 -0.930 -10.533 8.360 105 3HB ALA 9 3HB ALA 9 -2.275 -11.641 8.018 106 H ARG 10 H ARG 10 -1.660 -8.343 9.803 107 HA ARG 10 HA ARG 10 -2.997 -9.261 12.086 108 1HB ARG 10 1HB ARG 10 -1.361 -6.853 11.376 109 2HB ARG 10 2HB ARG 10 -2.279 -6.741 12.862 110 1HG ARG 10 1HG ARG 10 -0.631 -9.230 12.360 111 2HG ARG 10 2HG ARG 10 0.180 -7.741 12.861 112 1HD ARG 10 1HD ARG 10 -0.980 -7.606 14.906 113 2HD ARG 10 2HD ARG 10 -2.239 -8.723 14.403 114 HE ARG 10 HE ARG 10 0.452 -9.382 15.411 115 1HH1 ARG 10 1HH1 ARG 10 -2.474 -10.667 14.002 116 2HH1 ARG 10 2HH1 ARG 10 -2.124 -12.314 14.452 117 1HH2 ARG 10 1HH2 ARG 10 0.857 -11.513 16.035 118 2HH2 ARG 10 2HH2 ARG 10 -0.265 -12.760 15.590 119 H MET 11 H MET 11 -4.463 -7.226 9.723 120 HA MET 11 HA MET 11 -6.578 -6.071 11.270 121 1HB MET 11 1HB MET 11 -6.446 -7.229 8.457 122 2HB MET 11 2HB MET 11 -7.898 -6.469 9.091 123 1HG MET 11 1HG MET 11 -5.254 -4.994 9.065 124 2HG MET 11 2HG MET 11 -6.321 -5.045 7.669 125 1HE MET 11 1HE MET 11 -6.082 -1.766 10.075 126 2HE MET 11 2HE MET 11 -6.358 -2.869 11.441 127 3HE MET 11 3HE MET 11 -5.083 -3.224 10.253 128 H THR 12 H THR 12 -6.021 -9.468 10.382 129 HA THR 12 HA THR 12 -8.232 -10.287 12.125 130 HB THR 12 HB THR 12 -8.731 -11.353 9.369 131 HG1 THR 12 HG1 THR 12 -9.224 -8.728 10.191 132 1HG2 THR 12 1HG2 THR 12 -10.616 -10.303 11.526 133 2HG2 THR 12 2HG2 THR 12 -11.056 -11.243 10.085 134 3HG2 THR 12 3HG2 THR 12 -10.119 -11.999 11.382 135 H GLY 13 H GLY 13 -5.370 -11.157 10.398 136 1HA GLY 13 1HA GLY 13 -4.086 -13.038 10.454 137 2HA GLY 13 2HA GLY 13 -5.228 -13.817 11.554 138 H ILE 14 H ILE 14 -7.539 -13.985 10.162 139 HA ILE 14 HA ILE 14 -7.182 -16.195 8.530 140 HB ILE 14 HB ILE 14 -9.388 -16.398 8.330 141 1HG1 ILE 14 1HG1 ILE 14 -11.060 -14.403 8.248 142 2HG1 ILE 14 2HG1 ILE 14 -9.691 -13.448 7.702 143 1HG2 ILE 14 1HG2 ILE 14 -8.896 -15.777 10.715 144 2HG2 ILE 14 2HG2 ILE 14 -9.529 -14.149 10.357 145 3HG2 ILE 14 3HG2 ILE 14 -10.576 -15.563 10.216 146 1HD1 ILE 14 1HD1 ILE 14 -9.534 -14.830 5.671 147 2HD1 ILE 14 2HD1 ILE 14 -10.628 -16.044 6.366 148 3HD1 ILE 14 3HD1 ILE 14 -11.236 -14.444 5.917 149 H ARG 15 H ARG 15 -7.179 -12.863 7.466 150 HA ARG 15 HA ARG 15 -7.151 -13.548 4.623 151 1HB ARG 15 1HB ARG 15 -6.557 -10.904 6.022 152 2HB ARG 15 2HB ARG 15 -6.508 -11.144 4.283 153 1HG ARG 15 1HG ARG 15 -8.670 -10.635 4.187 154 2HG ARG 15 2HG ARG 15 -8.990 -12.216 4.886 155 1HD ARG 15 1HD ARG 15 -8.494 -10.797 7.168 156 2HD ARG 15 2HD ARG 15 -9.057 -9.488 6.122 157 HE ARG 15 HE ARG 15 -10.659 -11.992 6.347 158 1HH1 ARG 15 1HH1 ARG 15 -10.497 -8.613 7.187 159 2HH1 ARG 15 2HH1 ARG 15 -12.146 -8.548 7.738 160 1HH2 ARG 15 1HH2 ARG 15 -12.655 -11.950 7.318 161 2HH2 ARG 15 2HH2 ARG 15 -13.319 -10.440 7.852 162 H GLU 16 H GLU 16 -4.587 -13.822 6.973 163 HA GLU 16 HA GLU 16 -2.421 -12.944 5.338 164 1HB GLU 16 1HB GLU 16 -2.394 -13.846 7.827 165 2HB GLU 16 2HB GLU 16 -2.176 -15.417 7.063 166 1HG GLU 16 1HG GLU 16 -0.328 -13.861 5.674 167 2HG GLU 16 2HG GLU 16 -0.322 -13.076 7.241 168 H ALA 17 H ALA 17 -4.003 -16.113 5.552 169 HA ALA 17 HA ALA 17 -2.554 -17.503 3.557 170 1HB ALA 17 1HB ALA 17 -4.490 -19.044 3.634 171 2HB ALA 17 2HB ALA 17 -4.000 -18.552 5.267 172 3HB ALA 17 3HB ALA 17 -5.437 -17.823 4.513 173 H THR 18 H THR 18 -4.993 -15.013 3.149 174 HA THR 18 HA THR 18 -5.376 -15.796 0.303 175 HB THR 18 HB THR 18 -7.317 -15.052 1.886 176 HG1 THR 18 HG1 THR 18 -7.910 -15.557 -0.006 177 1HG2 THR 18 1HG2 THR 18 -8.049 -12.725 1.360 178 2HG2 THR 18 2HG2 THR 18 -6.729 -12.808 2.513 179 3HG2 THR 18 3HG2 THR 18 -6.393 -12.352 0.845 180 H LEU 19 H LEU 19 -4.163 -13.052 2.265 181 HA LEU 19 HA LEU 19 -3.176 -11.407 0.195 182 1HB LEU 19 1HB LEU 19 -2.154 -11.951 3.004 183 2HB LEU 19 2HB LEU 19 -1.611 -10.589 2.023 184 HG LEU 19 HG LEU 19 -4.546 -10.959 2.720 185 1HD1 LEU 19 1HD1 LEU 19 -4.275 -10.288 4.835 186 2HD1 LEU 19 2HD1 LEU 19 -2.537 -10.538 4.664 187 3HD1 LEU 19 3HD1 LEU 19 -3.227 -8.945 4.367 188 1HD2 LEU 19 1HD2 LEU 19 -2.947 -8.478 2.026 189 2HD2 LEU 19 2HD2 LEU 19 -4.012 -9.374 0.921 190 3HD2 LEU 19 3HD2 LEU 19 -4.697 -8.595 2.355 191 H ARG 20 H ARG 20 -1.392 -13.943 2.032 192 HA ARG 20 HA ARG 20 1.008 -13.802 0.403 193 1HB ARG 20 1HB ARG 20 -0.105 -15.892 2.326 194 2HB ARG 20 2HB ARG 20 1.446 -16.078 1.525 195 1HG ARG 20 1HG ARG 20 0.803 -13.615 3.195 196 2HG ARG 20 2HG ARG 20 1.434 -15.086 3.917 197 1HD ARG 20 1HD ARG 20 2.853 -13.633 1.637 198 2HD ARG 20 2HD ARG 20 3.160 -13.328 3.357 199 HE ARG 20 HE ARG 20 3.332 -16.110 2.942 200 1HH1 ARG 20 1HH1 ARG 20 5.172 -13.380 1.780 201 2HH1 ARG 20 2HH1 ARG 20 6.710 -14.137 2.067 202 1HH2 ARG 20 1HH2 ARG 20 5.288 -17.151 3.048 203 2HH2 ARG 20 2HH2 ARG 20 6.756 -16.301 2.676 204 H ALA 21 H ALA 21 -2.022 -15.564 -0.037 205 HA ALA 21 HA ALA 21 -0.934 -17.224 -2.184 206 1HB ALA 21 1HB ALA 21 -3.290 -17.664 -2.716 207 2HB ALA 21 2HB ALA 21 -2.927 -17.969 -1.008 208 3HB ALA 21 3HB ALA 21 -3.811 -16.502 -1.484 209 H TRP 22 H TRP 22 -2.834 -14.137 -2.047 210 HA TRP 22 HA TRP 22 -3.035 -13.689 -4.814 211 1HB TRP 22 1HB TRP 22 -2.692 -11.554 -2.716 212 2HB TRP 22 2HB TRP 22 -3.367 -11.398 -4.340 213 HD1 TRP 22 HD1 TRP 22 -5.159 -14.257 -3.565 214 HE1 TRP 22 HE1 TRP 22 -7.293 -13.851 -2.146 215 HE3 TRP 22 HE3 TRP 22 -4.223 -9.545 -1.821 216 HZ2 TRP 22 HZ2 TRP 22 -8.540 -11.731 -0.845 217 HZ3 TRP 22 HZ3 TRP 22 -5.937 -8.308 -0.530 218 HH2 TRP 22 HH2 TRP 22 -8.122 -9.376 -0.024 219 H GLU 23 H GLU 23 -0.322 -12.930 -2.681 220 HA GLU 23 HA GLU 23 1.410 -11.507 -4.298 221 1HB GLU 23 1HB GLU 23 1.640 -12.406 -1.908 222 2HB GLU 23 2HB GLU 23 2.238 -13.903 -2.627 223 1HG GLU 23 1HG GLU 23 4.169 -12.737 -3.549 224 2HG GLU 23 2HG GLU 23 3.502 -11.172 -3.077 225 H ARG 24 H ARG 24 0.487 -14.879 -4.748 226 HA ARG 24 HA ARG 24 2.053 -14.958 -7.314 227 1HB ARG 24 1HB ARG 24 2.446 -16.760 -5.465 228 2HB ARG 24 2HB ARG 24 0.847 -17.363 -5.911 229 1HG ARG 24 1HG ARG 24 1.850 -17.352 -8.375 230 2HG ARG 24 2HG ARG 24 3.404 -17.259 -7.544 231 1HD ARG 24 1HD ARG 24 2.772 -19.327 -6.260 232 2HD ARG 24 2HD ARG 24 1.273 -19.423 -7.187 233 HE ARG 24 HE ARG 24 3.907 -20.252 -8.009 234 1HH1 ARG 24 1HH1 ARG 24 0.971 -18.964 -9.426 235 2HH1 ARG 24 2HH1 ARG 24 1.270 -19.692 -10.980 236 1HH2 ARG 24 1HH2 ARG 24 4.271 -21.141 -10.023 237 2HH2 ARG 24 2HH2 ARG 24 3.121 -20.890 -11.298 238 H ARG 25 H ARG 25 -1.142 -15.377 -5.887 239 HA ARG 25 HA ARG 25 -2.389 -16.494 -8.227 240 1HB ARG 25 1HB ARG 25 -2.956 -16.751 -5.715 241 2HB ARG 25 2HB ARG 25 -3.850 -15.242 -5.882 242 1HG ARG 25 1HG ARG 25 -5.312 -16.273 -7.563 243 2HG ARG 25 2HG ARG 25 -4.386 -17.776 -7.483 244 1HD ARG 25 1HD ARG 25 -5.757 -16.530 -5.058 245 2HD ARG 25 2HD ARG 25 -6.550 -17.704 -6.119 246 HE ARG 25 HE ARG 25 -4.139 -18.890 -5.386 247 1HH1 ARG 25 1HH1 ARG 25 -6.965 -17.831 -3.613 248 2HH1 ARG 25 2HH1 ARG 25 -6.744 -19.005 -2.342 249 1HH2 ARG 25 1HH2 ARG 25 -3.914 -20.412 -3.754 250 2HH2 ARG 25 2HH2 ARG 25 -5.041 -20.430 -2.436 251 H TYR 26 H TYR 26 -1.979 -13.155 -7.265 252 HA TYR 26 HA TYR 26 -3.223 -12.314 -9.836 253 1HB TYR 26 1HB TYR 26 -4.047 -10.931 -7.257 254 2HB TYR 26 2HB TYR 26 -4.629 -10.609 -8.882 255 HD1 TYR 26 HD1 TYR 26 -4.925 -12.704 -5.925 256 HD2 TYR 26 HD2 TYR 26 -6.183 -12.234 -10.019 257 HE1 TYR 26 HE1 TYR 26 -6.655 -14.469 -5.605 258 HE2 TYR 26 HE2 TYR 26 -7.952 -13.936 -9.686 259 HH TYR 26 HH TYR 26 -8.848 -15.469 -8.221 260 H GLY 27 H GLY 27 -1.261 -11.377 -6.996 261 1HA GLY 27 1HA GLY 27 0.652 -10.042 -7.056 262 2HA GLY 27 2HA GLY 27 0.164 -9.342 -8.598 263 H PHE 28 H PHE 28 -2.407 -9.332 -6.300 264 HA PHE 28 HA PHE 28 -1.831 -6.537 -5.444 265 1HB PHE 28 1HB PHE 28 -3.734 -6.473 -6.854 266 2HB PHE 28 2HB PHE 28 -4.433 -7.898 -6.110 267 HD1 PHE 28 HD1 PHE 28 -5.376 -7.785 -3.744 268 HD2 PHE 28 HD2 PHE 28 -4.183 -4.262 -5.941 269 HE1 PHE 28 HE1 PHE 28 -6.899 -6.415 -2.372 270 HE2 PHE 28 HE2 PHE 28 -5.679 -2.889 -4.520 271 HZ PHE 28 HZ PHE 28 -7.077 -3.971 -2.770 272 HA PRO 29 HA PRO 29 -2.012 -5.196 -3.663 273 1HB PRO 29 1HB PRO 29 -0.518 -4.787 -1.431 274 2HB PRO 29 2HB PRO 29 -2.285 -4.718 -1.440 275 1HG PRO 29 1HG PRO 29 -0.516 -7.060 -0.626 276 2HG PRO 29 2HG PRO 29 -1.905 -6.396 0.270 277 1HD PRO 29 1HD PRO 29 -2.071 -8.583 -1.368 278 2HD PRO 29 2HD PRO 29 -3.430 -7.436 -1.204 279 H ARG 30 H ARG 30 0.088 -4.357 -4.358 280 HA ARG 30 HA ARG 30 1.922 -6.581 -5.042 281 1HB ARG 30 1HB ARG 30 0.953 -5.076 -6.855 282 2HB ARG 30 2HB ARG 30 2.018 -3.799 -6.247 283 1HG ARG 30 1HG ARG 30 3.983 -5.273 -6.542 284 2HG ARG 30 2HG ARG 30 2.934 -6.617 -7.023 285 1HD ARG 30 1HD ARG 30 2.267 -5.448 -9.058 286 2HD ARG 30 2HD ARG 30 3.156 -4.004 -8.552 287 HE ARG 30 HE ARG 30 5.148 -4.963 -9.175 288 1HH1 ARG 30 1HH1 ARG 30 2.783 -7.541 -9.208 289 2HH1 ARG 30 2HH1 ARG 30 3.889 -8.715 -9.868 290 1HH2 ARG 30 1HH2 ARG 30 6.554 -6.488 -9.993 291 2HH2 ARG 30 2HH2 ARG 30 6.001 -8.108 -10.296 292 HA PRO 31 HA PRO 31 4.305 -4.687 -1.738 293 1HB PRO 31 1HB PRO 31 6.289 -6.504 -1.440 294 2HB PRO 31 2HB PRO 31 4.643 -6.758 -0.799 295 1HG PRO 31 1HG PRO 31 5.832 -7.864 -3.356 296 2HG PRO 31 2HG PRO 31 4.811 -8.706 -2.148 297 1HD PRO 31 1HD PRO 31 3.828 -7.644 -4.492 298 2HD PRO 31 2HD PRO 31 2.860 -7.741 -2.995 299 H LEU 32 H LEU 32 5.679 -3.080 -2.046 300 HA LEU 32 HA LEU 32 6.856 -2.693 -4.651 301 1HB LEU 32 1HB LEU 32 8.139 -0.831 -3.031 302 2HB LEU 32 2HB LEU 32 6.765 -0.575 -4.073 303 HG LEU 32 HG LEU 32 6.473 -1.314 -1.141 304 1HD1 LEU 32 1HD1 LEU 32 7.767 0.781 -1.387 305 2HD1 LEU 32 2HD1 LEU 32 6.469 1.450 -2.405 306 3HD1 LEU 32 3HD1 LEU 32 6.161 1.062 -0.699 307 1HD2 LEU 32 1HD2 LEU 32 4.252 -0.142 -1.443 308 2HD2 LEU 32 2HD2 LEU 32 4.562 -0.048 -3.177 309 3HD2 LEU 32 3HD2 LEU 32 4.349 -1.618 -2.392 310 H ARG 33 H ARG 33 9.128 -2.161 -5.015 311 HA ARG 33 HA ARG 33 10.931 -4.306 -4.209 312 1HB ARG 33 1HB ARG 33 11.049 -1.837 -5.937 313 2HB ARG 33 2HB ARG 33 12.582 -2.468 -5.341 314 1HG ARG 33 1HG ARG 33 12.497 -4.396 -6.542 315 2HG ARG 33 2HG ARG 33 10.735 -4.515 -6.524 316 1HD ARG 33 1HD ARG 33 10.435 -3.217 -8.370 317 2HD ARG 33 2HD ARG 33 11.826 -2.190 -8.054 318 HE ARG 33 HE ARG 33 11.782 -4.686 -9.586 319 1HH1 ARG 33 1HH1 ARG 33 13.875 -2.419 -7.944 320 2HH1 ARG 33 2HH1 ARG 33 15.270 -2.811 -8.907 321 1HH2 ARG 33 1HH2 ARG 33 13.608 -5.186 -10.818 322 2HH2 ARG 33 2HH2 ARG 33 15.103 -4.371 -10.491 323 H SER 34 H SER 34 12.740 -4.212 -2.936 324 HA SER 34 HA SER 34 13.263 -1.953 -1.173 325 1HB SER 34 1HB SER 34 12.829 -3.260 0.836 326 2HB SER 34 2HB SER 34 11.345 -3.114 -0.103 327 HG SER 34 HG SER 34 12.484 -5.322 0.776 328 H GLU 35 H GLU 35 15.059 -2.710 0.433 329 HA GLU 35 HA GLU 35 17.198 -3.982 -1.063 330 1HB GLU 35 1HB GLU 35 17.099 -2.095 0.972 331 2HB GLU 35 2HB GLU 35 17.520 -3.557 1.866 332 1HG GLU 35 1HG GLU 35 19.279 -3.881 -0.116 333 2HG GLU 35 2HG GLU 35 19.019 -2.154 -0.363 334 H GLY 36 H GLY 36 18.609 -5.651 0.235 335 1HA GLY 36 1HA GLY 36 17.335 -8.134 0.198 336 2HA GLY 36 2HA GLY 36 18.878 -7.809 0.993 337 H ASN 37 H ASN 37 18.393 -6.441 3.211 338 HA ASN 37 HA ASN 37 16.891 -8.253 4.913 339 1HB ASN 37 1HB ASN 37 18.234 -5.579 5.515 340 2HB ASN 37 2HB ASN 37 17.656 -6.732 6.719 341 1HD2 ASN 37 1HD2 ASN 37 18.981 -8.599 7.214 342 2HD2 ASN 37 2HD2 ASN 37 20.550 -8.743 6.409 343 H ASN 38 H ASN 38 15.943 -5.397 3.191 344 HA ASN 38 HA ASN 38 13.836 -4.618 5.094 345 1HB ASN 38 1HB ASN 38 15.101 -2.949 3.742 346 2HB ASN 38 2HB ASN 38 14.409 -3.626 2.278 347 1HD2 ASN 38 1HD2 ASN 38 11.519 -3.865 2.932 348 2HD2 ASN 38 2HD2 ASN 38 11.117 -2.214 3.392 349 H TYR 39 H TYR 39 12.485 -6.360 5.274 350 HA TYR 39 HA TYR 39 11.484 -8.039 3.351 351 1HB TYR 39 1HB TYR 39 9.577 -7.046 5.446 352 2HB TYR 39 2HB TYR 39 9.875 -8.689 4.902 353 HD1 TYR 39 HD1 TYR 39 10.260 -6.495 7.582 354 HD2 TYR 39 HD2 TYR 39 12.486 -9.472 5.393 355 HE1 TYR 39 HE1 TYR 39 11.811 -6.775 9.522 356 HE2 TYR 39 HE2 TYR 39 14.030 -9.732 7.312 357 HH TYR 39 HH TYR 39 14.619 -8.940 9.389 358 H ARG 40 H ARG 40 9.251 -8.266 2.575 359 HA ARG 40 HA ARG 40 8.555 -6.258 0.694 360 1HB ARG 40 1HB ARG 40 7.117 -8.750 1.705 361 2HB ARG 40 2HB ARG 40 6.508 -7.789 0.377 362 1HG ARG 40 1HG ARG 40 9.235 -9.162 0.436 363 2HG ARG 40 2HG ARG 40 7.797 -9.776 -0.380 364 1HD ARG 40 1HD ARG 40 7.787 -7.943 -1.946 365 2HD ARG 40 2HD ARG 40 9.093 -7.104 -1.087 366 HE ARG 40 HE ARG 40 10.116 -9.599 -1.753 367 1HH1 ARG 40 1HH1 ARG 40 8.924 -6.803 -3.529 368 2HH1 ARG 40 2HH1 ARG 40 9.876 -7.169 -4.940 369 1HH2 ARG 40 1HH2 ARG 40 11.418 -9.944 -3.529 370 2HH2 ARG 40 2HH2 ARG 40 11.325 -8.891 -4.905 371 H VAL 41 H VAL 41 7.586 -4.466 0.874 372 HA VAL 41 HA VAL 41 5.605 -3.962 3.027 373 HB VAL 41 HB VAL 41 6.411 -1.552 2.906 374 1HG1 VAL 41 1HG1 VAL 41 8.253 -1.910 4.468 375 2HG1 VAL 41 2HG1 VAL 41 6.883 -2.977 4.805 376 3HG1 VAL 41 3HG1 VAL 41 8.335 -3.624 4.005 377 1HG2 VAL 41 1HG2 VAL 41 8.923 -2.747 1.665 378 2HG2 VAL 41 2HG2 VAL 41 7.740 -1.749 0.791 379 3HG2 VAL 41 3HG2 VAL 41 8.643 -1.063 2.148 380 H TYR 42 H TYR 42 4.173 -2.227 2.646 381 HA TYR 42 HA TYR 42 3.219 -1.930 -0.168 382 1HB TYR 42 1HB TYR 42 1.645 -2.581 2.356 383 2HB TYR 42 2HB TYR 42 0.959 -2.309 0.760 384 HD1 TYR 42 HD1 TYR 42 2.275 -4.782 3.003 385 HD2 TYR 42 HD2 TYR 42 1.727 -3.852 -1.167 386 HE1 TYR 42 HE1 TYR 42 2.392 -7.206 2.436 387 HE2 TYR 42 HE2 TYR 42 1.789 -6.305 -1.685 388 HH TYR 42 HH TYR 42 2.474 -8.821 0.672 389 H SER 43 H SER 43 1.984 -0.145 -0.591 390 HA SER 43 HA SER 43 2.479 2.291 0.953 391 1HB SER 43 1HB SER 43 2.494 2.115 -1.578 392 2HB SER 43 2HB SER 43 0.742 1.843 -1.511 393 HG SER 43 HG SER 43 1.247 4.051 -1.802 394 H ARG 44 H ARG 44 0.686 3.758 1.323 395 HA ARG 44 HA ARG 44 -1.347 2.646 3.057 396 1HB ARG 44 1HB ARG 44 -0.246 5.014 3.128 397 2HB ARG 44 2HB ARG 44 -1.375 5.438 1.842 398 1HG ARG 44 1HG ARG 44 -2.440 6.146 3.821 399 2HG ARG 44 2HG ARG 44 -3.251 4.622 3.445 400 1HD ARG 44 1HD ARG 44 -1.648 3.476 5.074 401 2HD ARG 44 2HD ARG 44 -0.994 5.066 5.455 402 HE ARG 44 HE ARG 44 -2.910 5.619 6.646 403 1HH1 ARG 44 1HH1 ARG 44 -3.537 2.583 5.024 404 2HH1 ARG 44 2HH1 ARG 44 -4.922 2.208 6.007 405 1HH2 ARG 44 1HH2 ARG 44 -4.721 5.142 7.854 406 2HH2 ARG 44 2HH2 ARG 44 -5.574 3.656 7.580 407 H GLU 45 H GLU 45 -1.383 3.732 -0.315 408 HA GLU 45 HA GLU 45 -4.218 3.473 -0.742 409 1HB GLU 45 1HB GLU 45 -3.617 3.438 -3.159 410 2HB GLU 45 2HB GLU 45 -3.008 4.827 -2.258 411 1HG GLU 45 1HG GLU 45 -0.788 3.845 -2.131 412 2HG GLU 45 2HG GLU 45 -1.313 2.390 -2.978 413 H GLU 46 H GLU 46 -1.535 1.108 -1.314 414 HA GLU 46 HA GLU 46 -3.216 -1.042 -2.189 415 1HB GLU 46 1HB GLU 46 -0.580 -1.026 -0.670 416 2HB GLU 46 2HB GLU 46 -1.452 -2.500 -0.999 417 1HG GLU 46 1HG GLU 46 -0.365 -2.690 -2.905 418 2HG GLU 46 2HG GLU 46 -1.391 -1.414 -3.534 419 H VAL 47 H VAL 47 -2.132 -0.148 1.131 420 HA VAL 47 HA VAL 47 -3.676 -2.155 2.448 421 HB VAL 47 HB VAL 47 -2.630 0.524 3.437 422 1HG1 VAL 47 1HG1 VAL 47 -3.950 -1.715 5.041 423 2HG1 VAL 47 2HG1 VAL 47 -3.018 -0.371 5.739 424 3HG1 VAL 47 3HG1 VAL 47 -4.534 -0.046 4.888 425 1HG2 VAL 47 1HG2 VAL 47 -0.929 -1.180 2.855 426 2HG2 VAL 47 2HG2 VAL 47 -1.032 -1.032 4.617 427 3HG2 VAL 47 3HG2 VAL 47 -1.818 -2.382 3.796 428 H GLU 48 H GLU 48 -4.659 1.230 1.656 429 HA GLU 48 HA GLU 48 -7.234 1.050 2.843 430 1HB GLU 48 1HB GLU 48 -6.050 3.145 1.986 431 2HB GLU 48 2HB GLU 48 -6.479 2.639 0.352 432 1HG GLU 48 1HG GLU 48 -8.104 4.236 1.046 433 2HG GLU 48 2HG GLU 48 -8.920 2.681 1.064 434 H ALA 49 H ALA 49 -6.266 0.467 -0.575 435 HA ALA 49 HA ALA 49 -8.750 -0.440 -1.560 436 1HB ALA 49 1HB ALA 49 -7.369 -1.553 -3.285 437 2HB ALA 49 2HB ALA 49 -6.818 0.103 -2.976 438 3HB ALA 49 3HB ALA 49 -5.910 -1.271 -2.315 439 H VAL 50 H VAL 50 -6.042 -2.441 -0.249 440 HA VAL 50 HA VAL 50 -7.368 -4.938 -0.292 441 HB VAL 50 HB VAL 50 -5.185 -3.907 1.541 442 1HG1 VAL 50 1HG1 VAL 50 -6.129 -5.791 2.730 443 2HG1 VAL 50 2HG1 VAL 50 -6.306 -6.725 1.225 444 3HG1 VAL 50 3HG1 VAL 50 -4.699 -6.372 1.870 445 1HG2 VAL 50 1HG2 VAL 50 -4.738 -4.195 -0.995 446 2HG2 VAL 50 2HG2 VAL 50 -3.710 -5.076 0.140 447 3HG2 VAL 50 3HG2 VAL 50 -5.010 -5.921 -0.734 448 H ARG 51 H ARG 51 -7.353 -2.482 2.372 449 HA ARG 51 HA ARG 51 -8.838 -4.149 4.162 450 1HB ARG 51 1HB ARG 51 -7.490 -2.157 4.794 451 2HB ARG 51 2HB ARG 51 -8.712 -1.098 4.088 452 1HG ARG 51 1HG ARG 51 -9.761 -3.124 6.026 453 2HG ARG 51 2HG ARG 51 -8.605 -2.012 6.732 454 1HD ARG 51 1HD ARG 51 -10.899 -0.926 5.070 455 2HD ARG 51 2HD ARG 51 -11.156 -1.459 6.742 456 HE ARG 51 HE ARG 51 -8.913 0.399 6.336 457 1HH1 ARG 51 1HH1 ARG 51 -12.327 0.339 6.911 458 2HH1 ARG 51 2HH1 ARG 51 -12.324 1.758 7.933 459 1HH2 ARG 51 1HH2 ARG 51 -8.902 2.200 7.685 460 2HH2 ARG 51 2HH2 ARG 51 -10.391 2.787 8.360 461 H ARG 52 H ARG 52 -9.950 -1.853 1.688 462 HA ARG 52 HA ARG 52 -12.786 -2.289 2.187 463 1HB ARG 52 1HB ARG 52 -11.286 -0.563 0.561 464 2HB ARG 52 2HB ARG 52 -12.032 -1.649 -0.612 465 1HG ARG 52 1HG ARG 52 -14.261 -1.182 0.402 466 2HG ARG 52 2HG ARG 52 -13.497 -0.097 1.570 467 1HD ARG 52 1HD ARG 52 -12.714 0.595 -1.179 468 2HD ARG 52 2HD ARG 52 -14.474 0.532 -1.016 469 HE ARG 52 HE ARG 52 -13.321 2.006 1.164 470 1HH1 ARG 52 1HH1 ARG 52 -13.973 2.421 -2.261 471 2HH1 ARG 52 2HH1 ARG 52 -14.148 4.142 -2.135 472 1HH2 ARG 52 1HH2 ARG 52 -13.558 4.233 1.289 473 2HH2 ARG 52 2HH2 ARG 52 -13.918 5.137 -0.149 474 H VAL 53 H VAL 53 -10.598 -3.617 -0.287 475 HA VAL 53 HA VAL 53 -12.305 -5.503 -1.472 476 HB VAL 53 HB VAL 53 -9.293 -5.430 -1.176 477 1HG1 VAL 53 1HG1 VAL 53 -10.945 -7.481 -2.661 478 2HG1 VAL 53 2HG1 VAL 53 -9.273 -7.086 -3.109 479 3HG1 VAL 53 3HG1 VAL 53 -9.602 -7.708 -1.509 480 1HG2 VAL 53 1HG2 VAL 53 -11.295 -4.464 -3.198 481 2HG2 VAL 53 2HG2 VAL 53 -9.799 -3.725 -2.670 482 3HG2 VAL 53 3HG2 VAL 53 -9.741 -5.053 -3.808 483 H ALA 54 H ALA 54 -10.127 -6.150 1.349 484 HA ALA 54 HA ALA 54 -10.814 -8.837 1.782 485 1HB ALA 54 1HB ALA 54 -8.936 -7.705 2.854 486 2HB ALA 54 2HB ALA 54 -10.052 -6.675 3.780 487 3HB ALA 54 3HB ALA 54 -10.002 -8.428 4.075 488 H ARG 55 H ARG 55 -12.611 -5.936 2.857 489 HA ARG 55 HA ARG 55 -14.549 -7.552 4.372 490 1HB ARG 55 1HB ARG 55 -13.976 -5.252 5.031 491 2HB ARG 55 2HB ARG 55 -14.656 -4.624 3.525 492 1HG ARG 55 1HG ARG 55 -16.870 -5.191 4.139 493 2HG ARG 55 2HG ARG 55 -16.357 -6.348 5.372 494 1HD ARG 55 1HD ARG 55 -15.693 -3.402 5.635 495 2HD ARG 55 2HD ARG 55 -17.277 -4.029 6.118 496 HE ARG 55 HE ARG 55 -15.798 -5.727 7.481 497 1HH1 ARG 55 1HH1 ARG 55 -15.297 -2.282 7.294 498 2HH1 ARG 55 2HH1 ARG 55 -14.665 -2.165 8.920 499 1HH2 ARG 55 1HH2 ARG 55 -15.029 -5.541 9.577 500 2HH2 ARG 55 2HH2 ARG 55 -14.496 -4.002 10.165 501 H LEU 56 H LEU 56 -14.521 -5.914 1.199 502 HA LEU 56 HA LEU 56 -17.081 -6.804 0.268 503 1HB LEU 56 1HB LEU 56 -14.522 -5.806 -0.958 504 2HB LEU 56 2HB LEU 56 -15.714 -6.530 -2.015 505 HG LEU 56 HG LEU 56 -17.319 -4.892 -1.655 506 1HD1 LEU 56 1HD1 LEU 56 -17.332 -4.606 0.772 507 2HD1 LEU 56 2HD1 LEU 56 -15.747 -3.798 0.714 508 3HD1 LEU 56 3HD1 LEU 56 -17.175 -3.043 -0.024 509 1HD2 LEU 56 1HD2 LEU 56 -14.631 -3.451 -1.543 510 2HD2 LEU 56 2HD2 LEU 56 -15.350 -4.176 -3.001 511 3HD2 LEU 56 3HD2 LEU 56 -16.150 -2.810 -2.210 512 H ILE 57 H ILE 57 -14.006 -8.499 0.349 513 HA ILE 57 HA ILE 57 -14.779 -10.893 -1.076 514 HB ILE 57 HB ILE 57 -12.649 -10.228 0.956 515 1HG1 ILE 57 1HG1 ILE 57 -12.366 -11.180 -1.899 516 2HG1 ILE 57 2HG1 ILE 57 -12.688 -9.488 -1.586 517 1HG2 ILE 57 1HG2 ILE 57 -12.977 -12.929 -0.430 518 2HG2 ILE 57 2HG2 ILE 57 -11.624 -12.443 0.596 519 3HG2 ILE 57 3HG2 ILE 57 -13.209 -12.647 1.307 520 1HD1 ILE 57 1HD1 ILE 57 -10.252 -10.030 -1.839 521 2HD1 ILE 57 2HD1 ILE 57 -10.669 -9.227 -0.320 522 3HD1 ILE 57 3HD1 ILE 57 -10.367 -10.950 -0.317 523 H GLN 58 H GLN 58 -14.895 -10.124 2.443 524 HA GLN 58 HA GLN 58 -15.963 -12.654 3.189 525 1HB GLN 58 1HB GLN 58 -15.727 -9.948 4.424 526 2HB GLN 58 2HB GLN 58 -17.027 -10.941 5.071 527 1HG GLN 58 1HG GLN 58 -14.125 -11.851 4.852 528 2HG GLN 58 2HG GLN 58 -14.894 -11.157 6.287 529 1HE2 GLN 58 1HE2 GLN 58 -14.416 -14.197 4.537 530 2HE2 GLN 58 2HE2 GLN 58 -15.524 -15.045 5.620 531 H GLU 59 H GLU 59 -17.609 -10.067 1.541 532 HA GLU 59 HA GLU 59 -20.292 -10.884 2.129 533 1HB GLU 59 1HB GLU 59 -19.332 -9.684 -0.480 534 2HB GLU 59 2HB GLU 59 -20.933 -9.559 0.227 535 1HG GLU 59 1HG GLU 59 -18.411 -8.260 1.343 536 2HG GLU 59 2HG GLU 59 -19.566 -7.479 0.292 537 H GLU 60 H GLU 60 -17.926 -12.160 -0.183 538 HA GLU 60 HA GLU 60 -19.744 -14.316 -1.107 539 1HB GLU 60 1HB GLU 60 -19.175 -11.851 -2.749 540 2HB GLU 60 2HB GLU 60 -19.152 -13.379 -3.599 541 1HG GLU 60 1HG GLU 60 -21.555 -12.484 -1.968 542 2HG GLU 60 2HG GLU 60 -21.316 -12.127 -3.664 543 H GLY 61 H GLY 61 -16.556 -12.777 -1.414 544 1HA GLY 61 1HA GLY 61 -14.529 -13.919 -1.573 545 2HA GLY 61 2HA GLY 61 -15.332 -15.349 -2.204 546 H LEU 62 H LEU 62 -16.711 -14.105 -4.400 547 HA LEU 62 HA LEU 62 -14.865 -14.016 -6.532 548 1HB LEU 62 1HB LEU 62 -17.115 -14.343 -7.059 549 2HB LEU 62 2HB LEU 62 -17.655 -12.990 -6.074 550 HG LEU 62 HG LEU 62 -16.837 -11.385 -7.712 551 1HD1 LEU 62 1HD1 LEU 62 -15.004 -12.520 -8.868 552 2HD1 LEU 62 2HD1 LEU 62 -16.096 -13.810 -9.410 553 3HD1 LEU 62 3HD1 LEU 62 -16.270 -12.152 -10.030 554 1HD2 LEU 62 1HD2 LEU 62 -18.598 -13.524 -8.968 555 2HD2 LEU 62 2HD2 LEU 62 -19.143 -12.308 -7.787 556 3HD2 LEU 62 3HD2 LEU 62 -18.559 -11.786 -9.367 557 H SER 63 H SER 63 -16.004 -11.302 -4.526 558 HA SER 63 HA SER 63 -14.727 -9.127 -5.624 559 1HB SER 63 1HB SER 63 -14.974 -9.861 -2.723 560 2HB SER 63 2HB SER 63 -14.652 -8.232 -3.314 561 HG SER 63 HG SER 63 -16.879 -8.890 -2.732 562 H VAL 64 H VAL 64 -12.935 -11.907 -4.447 563 HA VAL 64 HA VAL 64 -10.412 -10.516 -4.024 564 HB VAL 64 HB VAL 64 -10.998 -13.300 -5.128 565 1HG1 VAL 64 1HG1 VAL 64 -8.799 -12.533 -5.941 566 2HG1 VAL 64 2HG1 VAL 64 -8.351 -12.017 -4.308 567 3HG1 VAL 64 3HG1 VAL 64 -8.600 -13.739 -4.673 568 1HG2 VAL 64 1HG2 VAL 64 -10.143 -14.099 -2.956 569 2HG2 VAL 64 2HG2 VAL 64 -9.932 -12.423 -2.413 570 3HG2 VAL 64 3HG2 VAL 64 -11.550 -13.074 -2.710 571 H SER 65 H SER 65 -11.391 -12.317 -6.987 572 HA SER 65 HA SER 65 -9.559 -10.761 -8.581 573 1HB SER 65 1HB SER 65 -10.482 -13.132 -9.051 574 2HB SER 65 2HB SER 65 -11.897 -12.304 -9.738 575 HG SER 65 HG SER 65 -10.285 -11.089 -11.014 576 H GLU 66 H GLU 66 -13.064 -10.467 -7.910 577 HA GLU 66 HA GLU 66 -13.511 -8.470 -9.933 578 1HB GLU 66 1HB GLU 66 -15.149 -9.868 -8.037 579 2HB GLU 66 2HB GLU 66 -15.382 -8.144 -7.753 580 1HG GLU 66 1HG GLU 66 -15.633 -7.910 -10.300 581 2HG GLU 66 2HG GLU 66 -15.760 -9.674 -10.350 582 H ALA 67 H ALA 67 -13.093 -8.002 -6.291 583 HA ALA 67 HA ALA 67 -13.250 -5.166 -6.760 584 1HB ALA 67 1HB ALA 67 -14.021 -6.336 -4.663 585 2HB ALA 67 2HB ALA 67 -12.302 -6.395 -4.192 586 3HB ALA 67 3HB ALA 67 -13.100 -4.840 -4.484 587 H ILE 68 H ILE 68 -10.561 -7.495 -6.689 588 HA ILE 68 HA ILE 68 -8.436 -5.551 -6.811 589 HB ILE 68 HB ILE 68 -8.685 -8.339 -8.012 590 1HG1 ILE 68 1HG1 ILE 68 -6.873 -7.236 -5.864 591 2HG1 ILE 68 2HG1 ILE 68 -8.431 -7.873 -5.430 592 1HG2 ILE 68 1HG2 ILE 68 -7.144 -7.100 -9.473 593 2HG2 ILE 68 2HG2 ILE 68 -6.321 -6.392 -8.066 594 3HG2 ILE 68 3HG2 ILE 68 -6.180 -8.121 -8.423 595 1HD1 ILE 68 1HD1 ILE 68 -6.695 -9.740 -7.017 596 2HD1 ILE 68 2HD1 ILE 68 -6.187 -9.370 -5.358 597 3HD1 ILE 68 3HD1 ILE 68 -7.780 -10.058 -5.660 598 H ALA 69 H ALA 69 -10.213 -7.152 -9.591 599 HA ALA 69 HA ALA 69 -9.028 -5.494 -11.543 600 1HB ALA 69 1HB ALA 69 -11.747 -6.869 -11.566 601 2HB ALA 69 2HB ALA 69 -10.878 -6.246 -12.990 602 3HB ALA 69 3HB ALA 69 -10.193 -7.585 -12.050 603 H GLN 70 H GLN 70 -12.084 -4.983 -9.748 604 HA GLN 70 HA GLN 70 -12.841 -2.490 -10.887 605 1HB GLN 70 1HB GLN 70 -13.287 -3.626 -8.123 606 2HB GLN 70 2HB GLN 70 -14.012 -2.127 -8.686 607 1HG GLN 70 1HG GLN 70 -15.288 -3.232 -10.388 608 2HG GLN 70 2HG GLN 70 -14.421 -4.751 -10.176 609 1HE2 GLN 70 1HE2 GLN 70 -16.284 -6.085 -9.586 610 2HE2 GLN 70 2HE2 GLN 70 -17.127 -5.719 -8.094 611 H VAL 71 H VAL 71 -10.970 -2.928 -7.731 612 HA VAL 71 HA VAL 71 -10.467 -0.118 -7.632 613 HB VAL 71 HB VAL 71 -10.456 -1.875 -5.746 614 1HG1 VAL 71 1HG1 VAL 71 -7.454 -1.848 -6.257 615 2HG1 VAL 71 2HG1 VAL 71 -8.364 -2.738 -5.013 616 3HG1 VAL 71 3HG1 VAL 71 -8.508 -3.202 -6.708 617 1HG2 VAL 71 1HG2 VAL 71 -9.204 -0.390 -4.314 618 2HG2 VAL 71 2HG2 VAL 71 -8.424 0.379 -5.717 619 3HG2 VAL 71 3HG2 VAL 71 -10.173 0.547 -5.457 620 H LYS 72 H LYS 72 -8.816 -2.576 -9.444 621 HA LYS 72 HA LYS 72 -6.519 -0.845 -10.063 622 1HB LYS 72 1HB LYS 72 -7.549 -3.427 -11.294 623 2HB LYS 72 2HB LYS 72 -6.091 -2.624 -11.846 624 1HG LYS 72 1HG LYS 72 -6.322 -3.383 -8.913 625 2HG LYS 72 2HG LYS 72 -6.020 -4.622 -10.122 626 1HD LYS 72 1HD LYS 72 -3.936 -3.989 -9.230 627 2HD LYS 72 2HD LYS 72 -3.988 -3.402 -10.886 628 1HE LYS 72 1HE LYS 72 -4.958 -1.423 -8.889 629 2HE LYS 72 2HE LYS 72 -3.320 -1.975 -8.552 630 1HZ LYS 72 1HZ LYS 72 -3.278 -0.064 -9.992 631 2HZ LYS 72 2HZ LYS 72 -2.696 -1.365 -10.807 632 3HZ LYS 72 3HZ LYS 72 -4.215 -0.805 -11.122 633 H THR 73 H THR 73 -9.702 -1.399 -11.575 634 HA THR 73 HA THR 73 -8.921 0.423 -13.793 635 HB THR 73 HB THR 73 -10.244 -1.578 -14.371 636 HG1 THR 73 HG1 THR 73 -11.104 1.057 -14.779 637 1HG2 THR 73 1HG2 THR 73 -11.987 -2.072 -12.962 638 2HG2 THR 73 2HG2 THR 73 -12.323 -0.384 -12.537 639 3HG2 THR 73 3HG2 THR 73 -12.856 -1.044 -14.090 640 H GLU 74 H GLU 74 -10.527 0.669 -10.747 641 HA GLU 74 HA GLU 74 -11.885 3.183 -11.220 642 1HB GLU 74 1HB GLU 74 -12.700 1.596 -9.593 643 2HB GLU 74 2HB GLU 74 -11.154 1.600 -8.736 644 1HG GLU 74 1HG GLU 74 -11.487 3.905 -8.021 645 2HG GLU 74 2HG GLU 74 -12.937 4.043 -9.022 646 HA PRO 75 HA PRO 75 -7.898 5.323 -10.589 647 1HB PRO 75 1HB PRO 75 -8.651 7.863 -11.277 648 2HB PRO 75 2HB PRO 75 -8.347 6.579 -12.489 649 1HG PRO 75 1HG PRO 75 -11.013 7.460 -11.336 650 2HG PRO 75 2HG PRO 75 -10.582 7.208 -13.059 651 1HD PRO 75 1HD PRO 75 -11.857 5.309 -11.561 652 2HD PRO 75 2HD PRO 75 -10.676 4.866 -12.834 653 HA PRO 76 HA PRO 76 -8.750 6.682 -6.454 654 1HB PRO 76 1HB PRO 76 -6.577 8.230 -5.836 655 2HB PRO 76 2HB PRO 76 -6.470 6.464 -6.094 656 1HG PRO 76 1HG PRO 76 -5.927 8.672 -8.110 657 2HG PRO 76 2HG PRO 76 -4.872 7.283 -7.686 658 1HD PRO 76 1HD PRO 76 -6.524 7.197 -9.840 659 2HD PRO 76 2HD PRO 76 -6.291 5.750 -8.811 660 H ARG 77 H ARG 77 -9.313 8.502 -5.130 661 HA ARG 77 HA ARG 77 -9.530 11.156 -6.245 662 1HB ARG 77 1HB ARG 77 -11.883 9.348 -6.367 663 2HB ARG 77 2HB ARG 77 -12.195 10.809 -5.432 664 1HG ARG 77 1HG ARG 77 -11.137 12.109 -7.408 665 2HG ARG 77 2HG ARG 77 -11.350 10.612 -8.335 666 1HD ARG 77 1HD ARG 77 -13.777 10.635 -7.748 667 2HD ARG 77 2HD ARG 77 -13.548 12.131 -6.838 668 HE ARG 77 HE ARG 77 -13.841 11.835 -9.689 669 1HH1 ARG 77 1HH1 ARG 77 -12.273 13.937 -7.354 670 2HH1 ARG 77 2HH1 ARG 77 -12.253 15.305 -8.425 671 1HH2 ARG 77 1HH2 ARG 77 -13.811 13.615 -11.034 672 2HH2 ARG 77 2HH2 ARG 77 -13.121 15.111 -10.479 673 H GLU 78 H GLU 78 -8.672 12.183 -4.672 674 HA GLU 78 HA GLU 78 -9.683 11.951 -1.882 675 1HB GLU 78 1HB GLU 78 -7.181 13.359 -2.901 676 2HB GLU 78 2HB GLU 78 -7.679 13.119 -1.228 677 1HG GLU 78 1HG GLU 78 -6.145 11.441 -1.387 678 2HG GLU 78 2HG GLU 78 -7.583 10.541 -1.830 Start of MODEL 18 1 1H GLY -2 1H GLY -2 2.455 16.567 3.500 2 2H GLY -2 2H GLY -2 3.863 16.614 2.633 3 3H GLY -2 3H GLY -2 3.408 17.906 3.544 4 1HA GLY -2 1HA GLY -2 5.110 16.840 4.724 5 2HA GLY -2 2HA GLY -2 3.598 16.546 5.575 6 H SER -1 H SER -1 2.659 14.387 3.655 7 HA SER -1 HA SER -1 3.226 12.439 2.639 8 1HB SER -1 1HB SER -1 5.673 12.987 2.746 9 2HB SER -1 2HB SER -1 5.730 12.105 4.297 10 HG SER -1 HG SER -1 6.181 10.831 2.373 11 H HIS 0 H HIS 0 4.072 10.099 3.914 12 HA HIS 0 HA HIS 0 2.132 9.701 6.150 13 1HB HIS 0 1HB HIS 0 2.199 7.966 3.650 14 2HB HIS 0 2HB HIS 0 1.081 7.816 4.991 15 HD1 HIS 0 HD1 HIS 0 -0.357 10.513 5.184 16 HD2 HIS 0 HD2 HIS 0 0.926 8.710 1.592 17 HE1 HIS 0 HE1 HIS 0 -2.036 11.249 3.345 18 HE2 HIS 0 HE2 HIS 0 -1.184 10.200 1.149 19 H MET 1 H MET 1 2.190 7.368 6.914 20 HA MET 1 HA MET 1 4.867 6.417 7.538 21 1HB MET 1 1HB MET 1 2.011 5.637 8.252 22 2HB MET 1 2HB MET 1 3.326 4.535 8.611 23 1HG MET 1 1HG MET 1 3.083 5.686 10.564 24 2HG MET 1 2HG MET 1 4.503 6.411 9.825 25 1HE MET 1 1HE MET 1 4.282 8.237 11.734 26 2HE MET 1 2HE MET 1 2.802 9.174 12.043 27 3HE MET 1 3HE MET 1 2.815 7.418 12.312 28 H THR 2 H THR 2 5.082 3.884 7.557 29 HA THR 2 HA THR 2 4.349 2.596 4.990 30 HB THR 2 HB THR 2 6.637 1.653 4.848 31 HG1 THR 2 HG1 THR 2 7.420 3.638 6.685 32 1HG2 THR 2 1HG2 THR 2 6.706 4.706 4.841 33 2HG2 THR 2 2HG2 THR 2 7.841 3.614 4.027 34 3HG2 THR 2 3HG2 THR 2 6.144 3.678 3.504 35 H LEU 3 H LEU 3 3.923 0.381 5.226 36 HA LEU 3 HA LEU 3 4.568 -0.976 7.783 37 1HB LEU 3 1HB LEU 3 1.768 -0.579 6.655 38 2HB LEU 3 2HB LEU 3 2.150 -2.000 7.579 39 HG LEU 3 HG LEU 3 1.105 -0.679 9.067 40 1HD1 LEU 3 1HD1 LEU 3 3.999 -0.075 9.753 41 2HD1 LEU 3 2HD1 LEU 3 2.633 -0.266 10.858 42 3HD1 LEU 3 3HD1 LEU 3 3.235 -1.666 9.948 43 1HD2 LEU 3 1HD2 LEU 3 2.806 1.772 8.645 44 2HD2 LEU 3 2HD2 LEU 3 1.262 1.495 7.812 45 3HD2 LEU 3 3HD2 LEU 3 1.330 1.584 9.583 46 H ARG 4 H ARG 4 3.765 -3.397 7.563 47 HA ARG 4 HA ARG 4 4.790 -4.448 4.962 48 1HB ARG 4 1HB ARG 4 5.899 -6.250 6.269 49 2HB ARG 4 2HB ARG 4 6.560 -4.661 6.584 50 1HG ARG 4 1HG ARG 4 4.392 -5.524 8.457 51 2HG ARG 4 2HG ARG 4 5.846 -6.502 8.513 52 1HD ARG 4 1HD ARG 4 6.105 -3.489 8.614 53 2HD ARG 4 2HD ARG 4 5.579 -4.376 10.053 54 HE ARG 4 HE ARG 4 7.854 -5.717 9.132 55 1HH1 ARG 4 1HH1 ARG 4 7.250 -2.478 10.300 56 2HH1 ARG 4 2HH1 ARG 4 8.796 -2.351 11.090 57 1HH2 ARG 4 1HH2 ARG 4 9.832 -5.534 10.184 58 2HH2 ARG 4 2HH2 ARG 4 10.218 -4.060 11.012 59 H ILE 5 H ILE 5 4.251 -6.714 4.471 60 HA ILE 5 HA ILE 5 1.506 -7.241 4.505 61 HB ILE 5 HB ILE 5 3.321 -8.314 3.043 62 1HG1 ILE 5 1HG1 ILE 5 0.837 -8.732 2.989 63 2HG1 ILE 5 2HG1 ILE 5 1.884 -9.905 2.232 64 1HG2 ILE 5 1HG2 ILE 5 4.130 -10.511 3.520 65 2HG2 ILE 5 2HG2 ILE 5 4.738 -9.362 4.718 66 3HG2 ILE 5 3HG2 ILE 5 3.428 -10.492 5.139 67 1HD1 ILE 5 1HD1 ILE 5 1.067 -10.553 5.048 68 2HD1 ILE 5 2HD1 ILE 5 -0.175 -10.599 3.802 69 3HD1 ILE 5 3HD1 ILE 5 1.279 -11.597 3.637 70 H ARG 6 H ARG 6 3.890 -8.462 6.736 71 HA ARG 6 HA ARG 6 2.274 -10.096 8.350 72 1HB ARG 6 1HB ARG 6 4.920 -9.342 8.242 73 2HB ARG 6 2HB ARG 6 4.432 -8.517 9.715 74 1HG ARG 6 1HG ARG 6 3.906 -10.581 10.798 75 2HG ARG 6 2HG ARG 6 3.799 -11.464 9.260 76 1HD ARG 6 1HD ARG 6 6.194 -11.290 8.884 77 2HD ARG 6 2HD ARG 6 6.381 -10.218 10.270 78 HE ARG 6 HE ARG 6 6.509 -12.024 11.646 79 1HH1 ARG 6 1HH1 ARG 6 5.005 -13.255 8.722 80 2HH1 ARG 6 2HH1 ARG 6 5.042 -14.902 9.279 81 1HH2 ARG 6 1HH2 ARG 6 6.578 -14.153 12.292 82 2HH2 ARG 6 2HH2 ARG 6 5.938 -15.383 11.251 83 H THR 7 H THR 7 2.532 -6.555 8.399 84 HA THR 7 HA THR 7 0.859 -6.222 10.776 85 HB THR 7 HB THR 7 1.710 -4.198 8.668 86 HG1 THR 7 HG1 THR 7 2.622 -3.957 11.195 87 1HG2 THR 7 1HG2 THR 7 0.273 -3.906 11.342 88 2HG2 THR 7 2HG2 THR 7 1.111 -2.564 10.541 89 3HG2 THR 7 3HG2 THR 7 -0.259 -3.336 9.747 90 H ILE 8 H ILE 8 0.369 -5.907 7.200 91 HA ILE 8 HA ILE 8 -2.398 -5.164 7.389 92 HB ILE 8 HB ILE 8 -1.124 -6.759 5.124 93 1HG1 ILE 8 1HG1 ILE 8 -1.300 -3.745 5.569 94 2HG1 ILE 8 2HG1 ILE 8 0.165 -4.711 5.475 95 1HG2 ILE 8 1HG2 ILE 8 -2.971 -5.882 3.781 96 2HG2 ILE 8 2HG2 ILE 8 -3.655 -6.701 5.161 97 3HG2 ILE 8 3HG2 ILE 8 -3.575 -4.926 5.153 98 1HD1 ILE 8 1HD1 ILE 8 -0.118 -3.528 3.399 99 2HD1 ILE 8 2HD1 ILE 8 -0.346 -5.272 3.100 100 3HD1 ILE 8 3HD1 ILE 8 -1.734 -4.169 3.157 101 H ALA 9 H ALA 9 -0.876 -8.399 7.097 102 HA ALA 9 HA ALA 9 -3.284 -9.907 7.192 103 1HB ALA 9 1HB ALA 9 -0.493 -10.692 8.135 104 2HB ALA 9 2HB ALA 9 -1.824 -11.769 7.673 105 3HB ALA 9 3HB ALA 9 -1.057 -10.739 6.448 106 H ARG 10 H ARG 10 -1.079 -8.904 9.872 107 HA ARG 10 HA ARG 10 -2.397 -10.051 12.067 108 1HB ARG 10 1HB ARG 10 -0.673 -7.626 11.655 109 2HB ARG 10 2HB ARG 10 -1.533 -7.748 13.175 110 1HG ARG 10 1HG ARG 10 -0.509 -9.840 13.740 111 2HG ARG 10 2HG ARG 10 0.276 -9.972 12.154 112 1HD ARG 10 1HD ARG 10 1.633 -8.004 12.579 113 2HD ARG 10 2HD ARG 10 0.697 -7.620 14.035 114 HE ARG 10 HE ARG 10 2.044 -10.221 14.082 115 1HH1 ARG 10 1HH1 ARG 10 2.333 -6.854 14.983 116 2HH1 ARG 10 2HH1 ARG 10 3.500 -7.157 16.240 117 1HH2 ARG 10 1HH2 ARG 10 3.547 -10.587 15.725 118 2HH2 ARG 10 2HH2 ARG 10 4.178 -9.243 16.624 119 H MET 11 H MET 11 -3.788 -7.545 10.095 120 HA MET 11 HA MET 11 -5.620 -6.459 12.017 121 1HB MET 11 1HB MET 11 -6.007 -6.999 9.036 122 2HB MET 11 2HB MET 11 -7.107 -6.082 10.067 123 1HG MET 11 1HG MET 11 -4.782 -4.814 10.650 124 2HG MET 11 2HG MET 11 -4.459 -5.268 8.984 125 1HE MET 11 1HE MET 11 -4.190 -2.472 9.536 126 2HE MET 11 2HE MET 11 -5.608 -1.410 9.650 127 3HE MET 11 3HE MET 11 -5.225 -2.512 10.986 128 H THR 12 H THR 12 -5.568 -9.645 10.526 129 HA THR 12 HA THR 12 -7.744 -10.535 12.277 130 HB THR 12 HB THR 12 -8.348 -10.625 9.290 131 HG1 THR 12 HG1 THR 12 -8.745 -8.674 11.113 132 1HG2 THR 12 1HG2 THR 12 -10.686 -11.125 10.084 133 2HG2 THR 12 2HG2 THR 12 -9.549 -12.415 10.460 134 3HG2 THR 12 3HG2 THR 12 -10.053 -11.289 11.735 135 H GLY 13 H GLY 13 -5.208 -11.332 9.968 136 1HA GLY 13 1HA GLY 13 -4.101 -13.271 9.592 137 2HA GLY 13 2HA GLY 13 -5.072 -14.085 10.819 138 H ILE 14 H ILE 14 -7.661 -13.784 9.673 139 HA ILE 14 HA ILE 14 -7.893 -15.859 7.845 140 HB ILE 14 HB ILE 14 -9.671 -14.556 9.175 141 1HG1 ILE 14 1HG1 ILE 14 -10.045 -16.625 7.849 142 2HG1 ILE 14 2HG1 ILE 14 -11.436 -15.602 8.150 143 1HG2 ILE 14 1HG2 ILE 14 -10.112 -13.069 6.557 144 2HG2 ILE 14 2HG2 ILE 14 -11.116 -13.012 8.012 145 3HG2 ILE 14 3HG2 ILE 14 -9.470 -12.363 8.050 146 1HD1 ILE 14 1HD1 ILE 14 -9.975 -15.716 5.480 147 2HD1 ILE 14 2HD1 ILE 14 -11.453 -16.587 5.893 148 3HD1 ILE 14 3HD1 ILE 14 -11.469 -14.821 5.841 149 H ARG 15 H ARG 15 -7.388 -12.490 7.075 150 HA ARG 15 HA ARG 15 -7.508 -12.712 4.194 151 1HB ARG 15 1HB ARG 15 -6.116 -10.636 5.923 152 2HB ARG 15 2HB ARG 15 -6.517 -10.447 4.215 153 1HG ARG 15 1HG ARG 15 -8.805 -10.187 4.609 154 2HG ARG 15 2HG ARG 15 -8.764 -11.002 6.165 155 1HD ARG 15 1HD ARG 15 -7.265 -9.088 7.005 156 2HD ARG 15 2HD ARG 15 -7.782 -8.209 5.552 157 HE ARG 15 HE ARG 15 -10.034 -9.309 6.998 158 1HH1 ARG 15 1HH1 ARG 15 -7.804 -6.636 7.140 159 2HH1 ARG 15 2HH1 ARG 15 -8.796 -5.701 8.227 160 1HH2 ARG 15 1HH2 ARG 15 -11.179 -8.190 8.539 161 2HH2 ARG 15 2HH2 ARG 15 -10.706 -6.588 8.984 162 H GLU 16 H GLU 16 -4.945 -13.645 6.435 163 HA GLU 16 HA GLU 16 -2.680 -12.911 4.855 164 1HB GLU 16 1HB GLU 16 -2.752 -13.756 7.309 165 2HB GLU 16 2HB GLU 16 -2.802 -15.372 6.611 166 1HG GLU 16 1HG GLU 16 -0.709 -14.129 5.190 167 2HG GLU 16 2HG GLU 16 -0.557 -13.429 6.785 168 H ALA 17 H ALA 17 -4.554 -15.922 4.979 169 HA ALA 17 HA ALA 17 -3.224 -17.464 3.041 170 1HB ALA 17 1HB ALA 17 -6.211 -17.280 3.674 171 2HB ALA 17 2HB ALA 17 -5.395 -18.644 2.881 172 3HB ALA 17 3HB ALA 17 -5.023 -18.250 4.571 173 H THR 18 H THR 18 -5.430 -14.778 2.643 174 HA THR 18 HA THR 18 -5.764 -15.099 -0.266 175 HB THR 18 HB THR 18 -6.992 -13.456 1.922 176 HG1 THR 18 HG1 THR 18 -8.814 -14.207 0.672 177 1HG2 THR 18 1HG2 THR 18 -6.507 -11.728 0.224 178 2HG2 THR 18 2HG2 THR 18 -7.286 -12.767 -1.002 179 3HG2 THR 18 3HG2 THR 18 -8.220 -12.091 0.359 180 H LEU 19 H LEU 19 -4.183 -12.766 1.975 181 HA LEU 19 HA LEU 19 -3.078 -11.021 0.005 182 1HB LEU 19 1HB LEU 19 -2.034 -11.806 2.754 183 2HB LEU 19 2HB LEU 19 -1.446 -10.431 1.826 184 HG LEU 19 HG LEU 19 -4.375 -10.599 2.575 185 1HD1 LEU 19 1HD1 LEU 19 -2.447 -9.089 4.345 186 2HD1 LEU 19 2HD1 LEU 19 -4.095 -9.659 4.672 187 3HD1 LEU 19 3HD1 LEU 19 -2.750 -10.800 4.648 188 1HD2 LEU 19 1HD2 LEU 19 -3.571 -8.883 0.955 189 2HD2 LEU 19 2HD2 LEU 19 -4.332 -8.228 2.419 190 3HD2 LEU 19 3HD2 LEU 19 -2.561 -8.190 2.226 191 H ARG 20 H ARG 20 -1.629 -13.888 1.619 192 HA ARG 20 HA ARG 20 0.787 -13.856 0.006 193 1HB ARG 20 1HB ARG 20 -0.525 -15.941 1.800 194 2HB ARG 20 2HB ARG 20 0.969 -16.270 0.942 195 1HG ARG 20 1HG ARG 20 0.619 -13.921 2.858 196 2HG ARG 20 2HG ARG 20 1.232 -15.494 3.349 197 1HD ARG 20 1HD ARG 20 2.553 -13.735 1.221 198 2HD ARG 20 2HD ARG 20 3.006 -13.782 2.914 199 HE ARG 20 HE ARG 20 3.818 -15.987 2.706 200 1HH1 ARG 20 1HH1 ARG 20 3.127 -14.650 -0.501 201 2HH1 ARG 20 2HH1 ARG 20 3.971 -15.866 -1.281 202 1HH2 ARG 20 1HH2 ARG 20 5.050 -17.461 1.569 203 2HH2 ARG 20 2HH2 ARG 20 4.970 -17.475 -0.167 204 H ALA 21 H ALA 21 -2.371 -15.467 -0.446 205 HA ALA 21 HA ALA 21 -1.569 -16.883 -2.825 206 1HB ALA 21 1HB ALA 21 -4.298 -15.853 -1.950 207 2HB ALA 21 2HB ALA 21 -4.002 -16.932 -3.327 208 3HB ALA 21 3HB ALA 21 -3.626 -17.480 -1.685 209 H TRP 22 H TRP 22 -3.036 -13.584 -2.372 210 HA TRP 22 HA TRP 22 -3.188 -12.863 -5.076 211 1HB TRP 22 1HB TRP 22 -2.544 -11.080 -2.729 212 2HB TRP 22 2HB TRP 22 -2.958 -10.576 -4.370 213 HD1 TRP 22 HD1 TRP 22 -5.413 -12.774 -4.585 214 HE1 TRP 22 HE1 TRP 22 -7.660 -11.953 -3.647 215 HE3 TRP 22 HE3 TRP 22 -3.728 -9.160 -1.393 216 HZ2 TRP 22 HZ2 TRP 22 -8.580 -10.048 -1.791 217 HZ3 TRP 22 HZ3 TRP 22 -5.339 -7.828 -0.044 218 HH2 TRP 22 HH2 TRP 22 -7.774 -8.271 -0.200 219 H GLU 23 H GLU 23 -0.351 -12.620 -2.923 220 HA GLU 23 HA GLU 23 1.425 -11.334 -4.645 221 1HB GLU 23 1HB GLU 23 1.636 -12.438 -2.178 222 2HB GLU 23 2HB GLU 23 2.445 -13.696 -3.120 223 1HG GLU 23 1HG GLU 23 3.843 -11.751 -4.147 224 2HG GLU 23 2HG GLU 23 3.128 -10.733 -2.893 225 H ARG 24 H ARG 24 0.224 -14.615 -4.954 226 HA ARG 24 HA ARG 24 1.974 -15.128 -7.340 227 1HB ARG 24 1HB ARG 24 0.444 -16.941 -5.446 228 2HB ARG 24 2HB ARG 24 0.916 -17.494 -7.056 229 1HG ARG 24 1HG ARG 24 3.281 -17.090 -6.583 230 2HG ARG 24 2HG ARG 24 2.884 -16.380 -5.012 231 1HD ARG 24 1HD ARG 24 3.666 -18.655 -4.699 232 2HD ARG 24 2HD ARG 24 1.957 -18.528 -4.247 233 HE ARG 24 HE ARG 24 2.448 -19.397 -7.007 234 1HH1 ARG 24 1HH1 ARG 24 1.999 -20.577 -3.748 235 2HH1 ARG 24 2HH1 ARG 24 1.535 -22.177 -4.260 236 1HH2 ARG 24 1HH2 ARG 24 1.846 -21.467 -7.639 237 2HH2 ARG 24 2HH2 ARG 24 1.459 -22.656 -6.435 238 H ARG 25 H ARG 25 -1.413 -14.768 -6.400 239 HA ARG 25 HA ARG 25 -2.488 -15.520 -9.012 240 1HB ARG 25 1HB ARG 25 -3.676 -14.082 -6.623 241 2HB ARG 25 2HB ARG 25 -4.559 -14.319 -8.123 242 1HG ARG 25 1HG ARG 25 -4.482 -16.738 -7.871 243 2HG ARG 25 2HG ARG 25 -3.570 -16.574 -6.349 244 1HD ARG 25 1HD ARG 25 -5.428 -15.179 -5.422 245 2HD ARG 25 2HD ARG 25 -6.343 -15.386 -6.913 246 HE ARG 25 HE ARG 25 -6.056 -17.258 -4.711 247 1HH1 ARG 25 1HH1 ARG 25 -6.912 -17.094 -8.098 248 2HH1 ARG 25 2HH1 ARG 25 -7.825 -18.579 -8.056 249 1HH2 ARG 25 1HH2 ARG 25 -7.257 -19.135 -4.677 250 2HH2 ARG 25 2HH2 ARG 25 -8.017 -19.698 -6.131 251 H TYR 26 H TYR 26 -1.658 -12.344 -7.617 252 HA TYR 26 HA TYR 26 -2.127 -11.069 -10.287 253 1HB TYR 26 1HB TYR 26 -3.273 -9.784 -7.790 254 2HB TYR 26 2HB TYR 26 -3.544 -9.349 -9.464 255 HD1 TYR 26 HD1 TYR 26 -5.115 -10.745 -10.881 256 HD2 TYR 26 HD2 TYR 26 -4.538 -11.425 -6.662 257 HE1 TYR 26 HE1 TYR 26 -7.158 -12.169 -10.833 258 HE2 TYR 26 HE2 TYR 26 -6.554 -12.888 -6.640 259 HH TYR 26 HH TYR 26 -8.706 -13.225 -9.432 260 H GLY 27 H GLY 27 -0.892 -10.659 -6.964 261 1HA GLY 27 1HA GLY 27 1.183 -9.622 -6.470 262 2HA GLY 27 2HA GLY 27 1.017 -8.563 -7.863 263 H PHE 28 H PHE 28 -2.003 -8.478 -6.360 264 HA PHE 28 HA PHE 28 -1.435 -5.889 -5.070 265 1HB PHE 28 1HB PHE 28 -3.313 -5.935 -6.495 266 2HB PHE 28 2HB PHE 28 -3.893 -7.443 -5.829 267 HD1 PHE 28 HD1 PHE 28 -5.057 -7.541 -3.640 268 HD2 PHE 28 HD2 PHE 28 -3.889 -3.783 -5.416 269 HE1 PHE 28 HE1 PHE 28 -6.790 -6.376 -2.315 270 HE2 PHE 28 HE2 PHE 28 -5.577 -2.620 -4.048 271 HZ PHE 28 HZ PHE 28 -7.068 -3.915 -2.529 272 HA PRO 29 HA PRO 29 -1.774 -4.546 -3.279 273 1HB PRO 29 1HB PRO 29 -0.388 -3.974 -0.988 274 2HB PRO 29 2HB PRO 29 -2.166 -4.033 -1.081 275 1HG PRO 29 1HG PRO 29 -0.256 -6.198 -0.138 276 2HG PRO 29 2HG PRO 29 -1.750 -5.656 0.664 277 1HD PRO 29 1HD PRO 29 -1.632 -7.877 -0.939 278 2HD PRO 29 2HD PRO 29 -3.093 -6.852 -0.875 279 H ARG 30 H ARG 30 0.062 -3.627 -4.079 280 HA ARG 30 HA ARG 30 2.183 -5.581 -4.755 281 1HB ARG 30 1HB ARG 30 2.893 -4.053 -6.491 282 2HB ARG 30 2HB ARG 30 1.184 -4.465 -6.613 283 1HG ARG 30 1HG ARG 30 0.558 -2.287 -5.637 284 2HG ARG 30 2HG ARG 30 2.260 -1.830 -5.488 285 1HD ARG 30 1HD ARG 30 0.923 -2.562 -8.119 286 2HD ARG 30 2HD ARG 30 0.996 -0.914 -7.466 287 HE ARG 30 HE ARG 30 3.607 -2.142 -7.541 288 1HH1 ARG 30 1HH1 ARG 30 1.312 -0.480 -9.561 289 2HH1 ARG 30 2HH1 ARG 30 2.517 0.187 -10.631 290 1HH2 ARG 30 1HH2 ARG 30 5.165 -1.281 -8.915 291 2HH2 ARG 30 2HH2 ARG 30 4.682 -0.282 -10.255 292 HA PRO 31 HA PRO 31 4.742 -3.839 -1.646 293 1HB PRO 31 1HB PRO 31 7.177 -5.002 -2.258 294 2HB PRO 31 2HB PRO 31 5.830 -5.802 -1.396 295 1HG PRO 31 1HG PRO 31 6.557 -6.025 -4.310 296 2HG PRO 31 2HG PRO 31 6.042 -7.316 -3.179 297 1HD PRO 31 1HD PRO 31 4.336 -6.124 -4.963 298 2HD PRO 31 2HD PRO 31 3.786 -6.726 -3.370 299 H LEU 32 H LEU 32 5.863 -1.969 -1.481 300 HA LEU 32 HA LEU 32 6.224 -0.374 -3.853 301 1HB LEU 32 1HB LEU 32 7.650 0.309 -1.289 302 2HB LEU 32 2HB LEU 32 6.970 1.373 -2.506 303 HG LEU 32 HG LEU 32 5.538 -0.140 -0.313 304 1HD1 LEU 32 1HD1 LEU 32 5.557 2.808 -1.004 305 2HD1 LEU 32 2HD1 LEU 32 4.874 2.039 0.445 306 3HD1 LEU 32 3HD1 LEU 32 6.625 2.038 0.192 307 1HD2 LEU 32 1HD2 LEU 32 3.404 0.907 -1.126 308 2HD2 LEU 32 2HD2 LEU 32 4.229 1.327 -2.639 309 3HD2 LEU 32 3HD2 LEU 32 3.994 -0.372 -2.180 310 H ARG 33 H ARG 33 8.240 0.462 -4.755 311 HA ARG 33 HA ARG 33 10.257 -1.616 -5.050 312 1HB ARG 33 1HB ARG 33 9.428 -0.220 -6.937 313 2HB ARG 33 2HB ARG 33 10.195 1.191 -6.212 314 1HG ARG 33 1HG ARG 33 12.213 -0.859 -6.340 315 2HG ARG 33 2HG ARG 33 11.349 -0.934 -7.873 316 1HD ARG 33 1HD ARG 33 11.802 1.406 -8.325 317 2HD ARG 33 2HD ARG 33 12.427 1.646 -6.676 318 HE ARG 33 HE ARG 33 13.926 -0.402 -7.991 319 1HH1 ARG 33 1HH1 ARG 33 13.607 3.068 -7.965 320 2HH1 ARG 33 2HH1 ARG 33 15.269 3.359 -8.408 321 1HH2 ARG 33 1HH2 ARG 33 16.073 -0.020 -8.540 322 2HH2 ARG 33 2HH2 ARG 33 16.635 1.613 -8.725 323 H SER 34 H SER 34 10.630 -1.563 -2.731 324 HA SER 34 HA SER 34 13.020 0.074 -1.978 325 1HB SER 34 1HB SER 34 10.821 -0.758 -0.073 326 2HB SER 34 2HB SER 34 12.159 0.343 0.250 327 HG SER 34 HG SER 34 10.295 1.534 -0.125 328 H GLU 35 H GLU 35 13.635 -1.135 0.454 329 HA GLU 35 HA GLU 35 14.581 -3.765 -0.260 330 1HB GLU 35 1HB GLU 35 15.660 -3.754 1.803 331 2HB GLU 35 2HB GLU 35 15.616 -2.052 1.358 332 1HG GLU 35 1HG GLU 35 13.483 -1.885 2.821 333 2HG GLU 35 2HG GLU 35 13.887 -3.505 3.403 334 H GLY 36 H GLY 36 14.138 -5.689 1.147 335 1HA GLY 36 1HA GLY 36 12.387 -6.500 2.865 336 2HA GLY 36 2HA GLY 36 11.200 -6.019 1.658 337 H ASN 37 H ASN 37 13.653 -8.348 2.501 338 HA ASN 37 HA ASN 37 13.121 -10.115 0.198 339 1HB ASN 37 1HB ASN 37 14.849 -10.369 2.705 340 2HB ASN 37 2HB ASN 37 14.574 -11.708 1.588 341 1HD2 ASN 37 1HD2 ASN 37 16.639 -8.977 2.150 342 2HD2 ASN 37 2HD2 ASN 37 17.297 -9.046 0.512 343 H ASN 38 H ASN 38 12.975 -10.977 3.670 344 HA ASN 38 HA ASN 38 10.890 -12.908 3.235 345 1HB ASN 38 1HB ASN 38 11.340 -11.865 6.016 346 2HB ASN 38 2HB ASN 38 11.228 -13.518 5.432 347 1HD2 ASN 38 1HD2 ASN 38 13.387 -10.880 6.275 348 2HD2 ASN 38 2HD2 ASN 38 14.836 -11.815 5.890 349 H TYR 39 H TYR 39 10.894 -9.582 4.200 350 HA TYR 39 HA TYR 39 7.984 -9.540 4.812 351 1HB TYR 39 1HB TYR 39 9.607 -7.111 5.338 352 2HB TYR 39 2HB TYR 39 8.372 -7.865 6.319 353 HD1 TYR 39 HD1 TYR 39 11.945 -7.523 5.641 354 HD2 TYR 39 HD2 TYR 39 9.024 -9.771 7.881 355 HE1 TYR 39 HE1 TYR 39 13.753 -8.409 7.115 356 HE2 TYR 39 HE2 TYR 39 10.827 -10.644 9.359 357 HH TYR 39 HH TYR 39 13.092 -10.582 9.860 358 H ARG 40 H ARG 40 6.815 -7.707 3.936 359 HA ARG 40 HA ARG 40 7.951 -6.534 1.427 360 1HB ARG 40 1HB ARG 40 5.064 -7.264 2.099 361 2HB ARG 40 2HB ARG 40 5.542 -6.361 0.682 362 1HG ARG 40 1HG ARG 40 6.189 -9.270 1.307 363 2HG ARG 40 2HG ARG 40 5.175 -8.620 0.015 364 1HD ARG 40 1HD ARG 40 7.358 -7.415 -0.780 365 2HD ARG 40 2HD ARG 40 8.202 -8.575 0.259 366 HE ARG 40 HE ARG 40 6.469 -10.134 -1.351 367 1HH1 ARG 40 1HH1 ARG 40 9.239 -8.065 -2.012 368 2HH1 ARG 40 2HH1 ARG 40 9.392 -8.693 -3.633 369 1HH2 ARG 40 1HH2 ARG 40 6.731 -10.908 -3.125 370 2HH2 ARG 40 2HH2 ARG 40 7.954 -10.404 -4.323 371 H VAL 41 H VAL 41 6.835 -4.426 0.873 372 HA VAL 41 HA VAL 41 6.258 -2.792 3.292 373 HB VAL 41 HB VAL 41 7.394 -0.891 2.152 374 1HG1 VAL 41 1HG1 VAL 41 8.411 -2.073 4.061 375 2HG1 VAL 41 2HG1 VAL 41 9.211 -3.202 2.945 376 3HG1 VAL 41 3HG1 VAL 41 9.640 -1.483 2.924 377 1HG2 VAL 41 1HG2 VAL 41 7.604 -2.185 -0.153 378 2HG2 VAL 41 2HG2 VAL 41 8.847 -1.084 0.389 379 3HG2 VAL 41 3HG2 VAL 41 9.078 -2.838 0.566 380 H TYR 42 H TYR 42 4.527 -1.514 3.139 381 HA TYR 42 HA TYR 42 3.253 -1.020 0.487 382 1HB TYR 42 1HB TYR 42 1.860 -2.070 2.971 383 2HB TYR 42 2HB TYR 42 1.092 -1.702 1.434 384 HD1 TYR 42 HD1 TYR 42 2.110 -4.336 3.392 385 HD2 TYR 42 HD2 TYR 42 2.394 -2.951 -0.684 386 HE1 TYR 42 HE1 TYR 42 2.099 -6.676 2.545 387 HE2 TYR 42 HE2 TYR 42 2.610 -5.304 -1.445 388 HH TYR 42 HH TYR 42 2.012 -7.458 -0.848 389 H SER 43 H SER 43 1.345 0.388 0.714 390 HA SER 43 HA SER 43 1.861 2.727 2.493 391 1HB SER 43 1HB SER 43 2.472 3.044 0.091 392 2HB SER 43 2HB SER 43 0.803 2.655 -0.361 393 HG SER 43 HG SER 43 1.031 4.859 -0.251 394 H ARG 44 H ARG 44 -0.045 4.091 2.777 395 HA ARG 44 HA ARG 44 -2.264 2.645 3.917 396 1HB ARG 44 1HB ARG 44 -1.397 4.883 4.679 397 2HB ARG 44 2HB ARG 44 -2.109 5.606 3.239 398 1HG ARG 44 1HG ARG 44 -4.028 5.886 4.392 399 2HG ARG 44 2HG ARG 44 -4.245 4.144 4.403 400 1HD ARG 44 1HD ARG 44 -4.445 4.850 6.643 401 2HD ARG 44 2HD ARG 44 -2.877 4.029 6.516 402 HE ARG 44 HE ARG 44 -2.611 6.861 6.068 403 1HH1 ARG 44 1HH1 ARG 44 -3.101 4.646 8.722 404 2HH1 ARG 44 2HH1 ARG 44 -2.427 5.725 9.915 405 1HH2 ARG 44 1HH2 ARG 44 -1.781 8.250 7.634 406 2HH2 ARG 44 2HH2 ARG 44 -1.667 7.721 9.283 407 H GLU 45 H GLU 45 -1.903 4.281 0.803 408 HA GLU 45 HA GLU 45 -4.597 4.118 -0.145 409 1HB GLU 45 1HB GLU 45 -3.438 4.184 -2.431 410 2HB GLU 45 2HB GLU 45 -3.147 5.541 -1.334 411 1HG GLU 45 1HG GLU 45 -1.017 4.730 -0.680 412 2HG GLU 45 2HG GLU 45 -1.213 3.189 -1.511 413 H GLU 46 H GLU 46 -1.901 1.779 -0.509 414 HA GLU 46 HA GLU 46 -3.444 -0.225 -1.891 415 1HB GLU 46 1HB GLU 46 -0.892 -0.297 -0.223 416 2HB GLU 46 2HB GLU 46 -1.589 -1.752 -0.921 417 1HG GLU 46 1HG GLU 46 -0.811 0.689 -2.573 418 2HG GLU 46 2HG GLU 46 0.252 -0.682 -2.269 419 H VAL 47 H VAL 47 -2.622 0.232 1.574 420 HA VAL 47 HA VAL 47 -4.148 -1.948 2.576 421 HB VAL 47 HB VAL 47 -3.279 0.642 3.875 422 1HG1 VAL 47 1HG1 VAL 47 -5.226 -0.051 5.161 423 2HG1 VAL 47 2HG1 VAL 47 -4.674 -1.743 5.166 424 3HG1 VAL 47 3HG1 VAL 47 -3.773 -0.498 6.062 425 1HG2 VAL 47 1HG2 VAL 47 -1.655 -0.836 4.979 426 2HG2 VAL 47 2HG2 VAL 47 -2.411 -2.249 4.215 427 3HG2 VAL 47 3HG2 VAL 47 -1.535 -1.065 3.227 428 H GLU 48 H GLU 48 -5.271 1.385 1.874 429 HA GLU 48 HA GLU 48 -7.906 1.229 2.869 430 1HB GLU 48 1HB GLU 48 -6.763 3.262 1.967 431 2HB GLU 48 2HB GLU 48 -6.885 2.599 0.350 432 1HG GLU 48 1HG GLU 48 -8.782 3.743 0.146 433 2HG GLU 48 2HG GLU 48 -9.536 2.504 1.137 434 H ALA 49 H ALA 49 -6.817 0.528 -0.487 435 HA ALA 49 HA ALA 49 -9.256 -0.621 -1.409 436 1HB ALA 49 1HB ALA 49 -7.448 0.124 -2.897 437 2HB ALA 49 2HB ALA 49 -6.374 -1.141 -2.268 438 3HB ALA 49 3HB ALA 49 -7.832 -1.588 -3.185 439 H VAL 50 H VAL 50 -6.333 -2.215 -0.025 440 HA VAL 50 HA VAL 50 -7.296 -4.875 -0.127 441 HB VAL 50 HB VAL 50 -5.326 -3.540 1.739 442 1HG1 VAL 50 1HG1 VAL 50 -4.516 -5.921 2.156 443 2HG1 VAL 50 2HG1 VAL 50 -5.987 -5.446 3.014 444 3HG1 VAL 50 3HG1 VAL 50 -6.099 -6.470 1.567 445 1HG2 VAL 50 1HG2 VAL 50 -4.788 -3.790 -0.752 446 2HG2 VAL 50 2HG2 VAL 50 -3.685 -4.570 0.380 447 3HG2 VAL 50 3HG2 VAL 50 -4.883 -5.536 -0.517 448 H ARG 51 H ARG 51 -7.684 -2.528 2.600 449 HA ARG 51 HA ARG 51 -9.138 -4.253 4.353 450 1HB ARG 51 1HB ARG 51 -9.251 -1.238 3.899 451 2HB ARG 51 2HB ARG 51 -10.328 -2.062 5.012 452 1HG ARG 51 1HG ARG 51 -8.051 -3.000 6.064 453 2HG ARG 51 2HG ARG 51 -7.382 -1.546 5.288 454 1HD ARG 51 1HD ARG 51 -9.373 -0.277 6.332 455 2HD ARG 51 2HD ARG 51 -9.670 -1.747 7.279 456 HE ARG 51 HE ARG 51 -6.952 -0.732 7.533 457 1HH1 ARG 51 1HH1 ARG 51 -10.198 -0.427 8.787 458 2HH1 ARG 51 2HH1 ARG 51 -9.719 0.451 10.212 459 1HH2 ARG 51 1HH2 ARG 51 -6.372 0.546 9.346 460 2HH2 ARG 51 2HH2 ARG 51 -7.584 0.947 10.524 461 H ARG 52 H ARG 52 -10.361 -2.141 1.746 462 HA ARG 52 HA ARG 52 -13.132 -2.927 1.993 463 1HB ARG 52 1HB ARG 52 -11.516 -1.717 -0.281 464 2HB ARG 52 2HB ARG 52 -13.208 -2.198 -0.493 465 1HG ARG 52 1HG ARG 52 -13.861 -0.776 1.422 466 2HG ARG 52 2HG ARG 52 -12.180 -0.272 1.630 467 1HD ARG 52 1HD ARG 52 -12.657 1.460 0.271 468 2HD ARG 52 2HD ARG 52 -12.586 0.300 -1.047 469 HE ARG 52 HE ARG 52 -14.833 0.616 -1.374 470 1HH1 ARG 52 1HH1 ARG 52 -14.225 1.508 1.943 471 2HH1 ARG 52 2HH1 ARG 52 -15.856 2.056 2.236 472 1HH2 ARG 52 1HH2 ARG 52 -16.927 1.350 -0.992 473 2HH2 ARG 52 2HH2 ARG 52 -17.351 1.963 0.576 474 H VAL 53 H VAL 53 -10.688 -4.122 -0.347 475 HA VAL 53 HA VAL 53 -12.237 -6.194 -1.469 476 HB VAL 53 HB VAL 53 -9.228 -6.134 -1.008 477 1HG1 VAL 53 1HG1 VAL 53 -10.943 -7.920 -2.771 478 2HG1 VAL 53 2HG1 VAL 53 -9.177 -7.761 -2.919 479 3HG1 VAL 53 3HG1 VAL 53 -9.903 -8.391 -1.437 480 1HG2 VAL 53 1HG2 VAL 53 -9.646 -5.683 -3.707 481 2HG2 VAL 53 2HG2 VAL 53 -11.002 -4.800 -2.979 482 3HG2 VAL 53 3HG2 VAL 53 -9.347 -4.435 -2.513 483 H ALA 54 H ALA 54 -10.071 -6.443 1.380 484 HA ALA 54 HA ALA 54 -10.488 -9.127 2.083 485 1HB ALA 54 1HB ALA 54 -9.930 -6.620 3.726 486 2HB ALA 54 2HB ALA 54 -9.917 -8.248 4.388 487 3HB ALA 54 3HB ALA 54 -8.754 -7.805 3.111 488 H ARG 55 H ARG 55 -12.381 -6.237 3.192 489 HA ARG 55 HA ARG 55 -14.227 -7.920 4.694 490 1HB ARG 55 1HB ARG 55 -13.661 -5.455 5.137 491 2HB ARG 55 2HB ARG 55 -14.732 -5.069 3.779 492 1HG ARG 55 1HG ARG 55 -16.564 -6.351 4.957 493 2HG ARG 55 2HG ARG 55 -15.483 -6.609 6.326 494 1HD ARG 55 1HD ARG 55 -15.987 -3.789 5.345 495 2HD ARG 55 2HD ARG 55 -17.262 -4.641 6.230 496 HE ARG 55 HE ARG 55 -14.761 -4.804 7.647 497 1HH1 ARG 55 1HH1 ARG 55 -17.420 -2.633 7.042 498 2HH1 ARG 55 2HH1 ARG 55 -17.306 -1.832 8.585 499 1HH2 ARG 55 1HH2 ARG 55 -14.647 -3.778 9.679 500 2HH2 ARG 55 2HH2 ARG 55 -15.741 -2.477 10.031 501 H LEU 56 H LEU 56 -14.258 -6.608 1.385 502 HA LEU 56 HA LEU 56 -16.863 -7.488 0.632 503 1HB LEU 56 1HB LEU 56 -14.427 -6.508 -0.684 504 2HB LEU 56 2HB LEU 56 -15.091 -7.831 -1.573 505 HG LEU 56 HG LEU 56 -15.875 -5.737 -2.444 506 1HD1 LEU 56 1HD1 LEU 56 -17.561 -7.143 -2.995 507 2HD1 LEU 56 2HD1 LEU 56 -17.850 -7.690 -1.339 508 3HD1 LEU 56 3HD1 LEU 56 -18.497 -6.143 -1.874 509 1HD2 LEU 56 1HD2 LEU 56 -17.267 -4.194 -1.213 510 2HD2 LEU 56 2HD2 LEU 56 -17.160 -5.194 0.249 511 3HD2 LEU 56 3HD2 LEU 56 -15.704 -4.395 -0.401 512 H ILE 57 H ILE 57 -13.764 -9.256 0.673 513 HA ILE 57 HA ILE 57 -14.759 -11.734 -0.341 514 HB ILE 57 HB ILE 57 -12.399 -10.898 1.320 515 1HG1 ILE 57 1HG1 ILE 57 -12.460 -12.338 -1.344 516 2HG1 ILE 57 2HG1 ILE 57 -12.850 -10.628 -1.276 517 1HG2 ILE 57 1HG2 ILE 57 -11.428 -13.189 1.141 518 2HG2 ILE 57 2HG2 ILE 57 -12.787 -13.099 2.255 519 3HG2 ILE 57 3HG2 ILE 57 -13.015 -13.804 0.647 520 1HD1 ILE 57 1HD1 ILE 57 -10.249 -11.887 -0.404 521 2HD1 ILE 57 2HD1 ILE 57 -10.558 -10.813 -1.784 522 3HD1 ILE 57 3HD1 ILE 57 -10.676 -10.184 -0.127 523 H GLN 58 H GLN 58 -15.136 -10.368 2.889 524 HA GLN 58 HA GLN 58 -16.156 -12.839 4.030 525 1HB GLN 58 1HB GLN 58 -15.833 -10.035 4.908 526 2HB GLN 58 2HB GLN 58 -17.356 -10.724 5.439 527 1HG GLN 58 1HG GLN 58 -14.568 -11.834 5.963 528 2HG GLN 58 2HG GLN 58 -15.624 -11.015 7.116 529 1HE2 GLN 58 1HE2 GLN 58 -14.810 -14.146 5.749 530 2HE2 GLN 58 2HE2 GLN 58 -16.157 -14.949 6.567 531 H GLU 59 H GLU 59 -17.518 -10.730 1.623 532 HA GLU 59 HA GLU 59 -20.273 -11.543 2.302 533 1HB GLU 59 1HB GLU 59 -19.367 -10.001 -0.152 534 2HB GLU 59 2HB GLU 59 -20.986 -10.157 0.530 535 1HG GLU 59 1HG GLU 59 -19.928 -9.072 2.684 536 2HG GLU 59 2HG GLU 59 -18.630 -8.577 1.601 537 H GLU 60 H GLU 60 -17.837 -12.281 -0.171 538 HA GLU 60 HA GLU 60 -19.182 -14.886 -0.653 539 1HB GLU 60 1HB GLU 60 -19.066 -12.726 -2.751 540 2HB GLU 60 2HB GLU 60 -18.654 -14.359 -3.253 541 1HG GLU 60 1HG GLU 60 -20.841 -15.132 -2.126 542 2HG GLU 60 2HG GLU 60 -21.280 -13.419 -2.072 543 H GLY 61 H GLY 61 -16.364 -12.877 -1.501 544 1HA GLY 61 1HA GLY 61 -14.121 -13.752 -1.245 545 2HA GLY 61 2HA GLY 61 -14.691 -15.365 -1.618 546 H LEU 62 H LEU 62 -16.279 -14.378 -3.979 547 HA LEU 62 HA LEU 62 -14.541 -14.471 -6.183 548 1HB LEU 62 1HB LEU 62 -16.786 -14.732 -6.660 549 2HB LEU 62 2HB LEU 62 -17.286 -13.406 -5.627 550 HG LEU 62 HG LEU 62 -16.607 -11.757 -7.278 551 1HD1 LEU 62 1HD1 LEU 62 -16.243 -12.609 -9.687 552 2HD1 LEU 62 2HD1 LEU 62 -14.851 -12.663 -8.630 553 3HD1 LEU 62 3HD1 LEU 62 -15.761 -14.155 -8.952 554 1HD2 LEU 62 1HD2 LEU 62 -18.887 -12.751 -7.239 555 2HD2 LEU 62 2HD2 LEU 62 -18.407 -12.163 -8.831 556 3HD2 LEU 62 3HD2 LEU 62 -18.376 -13.912 -8.485 557 H SER 63 H SER 63 -15.419 -11.672 -4.239 558 HA SER 63 HA SER 63 -14.118 -9.615 -5.641 559 1HB SER 63 1HB SER 63 -14.986 -10.040 -2.831 560 2HB SER 63 2HB SER 63 -13.791 -8.762 -3.129 561 HG SER 63 HG SER 63 -16.203 -9.025 -4.635 562 H VAL 64 H VAL 64 -12.446 -12.276 -4.152 563 HA VAL 64 HA VAL 64 -9.812 -11.153 -3.993 564 HB VAL 64 HB VAL 64 -10.913 -13.852 -4.857 565 1HG1 VAL 64 1HG1 VAL 64 -9.048 -13.869 -6.247 566 2HG1 VAL 64 2HG1 VAL 64 -8.076 -12.896 -5.141 567 3HG1 VAL 64 3HG1 VAL 64 -8.415 -14.600 -4.772 568 1HG2 VAL 64 1HG2 VAL 64 -10.802 -13.305 -2.433 569 2HG2 VAL 64 2HG2 VAL 64 -9.766 -14.657 -2.862 570 3HG2 VAL 64 3HG2 VAL 64 -9.051 -13.055 -2.572 571 H SER 65 H SER 65 -11.556 -12.459 -6.862 572 HA SER 65 HA SER 65 -9.530 -11.203 -8.631 573 1HB SER 65 1HB SER 65 -11.215 -13.453 -8.885 574 2HB SER 65 2HB SER 65 -11.921 -12.252 -9.975 575 HG SER 65 HG SER 65 -10.363 -12.772 -11.256 576 H GLU 66 H GLU 66 -12.985 -10.851 -7.772 577 HA GLU 66 HA GLU 66 -13.559 -8.899 -9.733 578 1HB GLU 66 1HB GLU 66 -14.997 -10.233 -7.686 579 2HB GLU 66 2HB GLU 66 -15.186 -8.512 -7.347 580 1HG GLU 66 1HG GLU 66 -15.775 -8.246 -9.835 581 2HG GLU 66 2HG GLU 66 -15.894 -10.010 -9.889 582 H ALA 67 H ALA 67 -12.770 -8.252 -6.203 583 HA ALA 67 HA ALA 67 -13.117 -5.431 -6.710 584 1HB ALA 67 1HB ALA 67 -12.007 -6.758 -4.249 585 2HB ALA 67 2HB ALA 67 -12.687 -5.120 -4.409 586 3HB ALA 67 3HB ALA 67 -13.737 -6.530 -4.588 587 H ILE 68 H ILE 68 -10.371 -7.638 -6.771 588 HA ILE 68 HA ILE 68 -8.323 -5.570 -6.967 589 HB ILE 68 HB ILE 68 -8.331 -8.478 -7.860 590 1HG1 ILE 68 1HG1 ILE 68 -6.976 -6.921 -5.612 591 2HG1 ILE 68 2HG1 ILE 68 -8.337 -8.011 -5.407 592 1HG2 ILE 68 1HG2 ILE 68 -6.021 -6.470 -7.927 593 2HG2 ILE 68 2HG2 ILE 68 -5.908 -8.206 -8.296 594 3HG2 ILE 68 3HG2 ILE 68 -6.817 -7.163 -9.359 595 1HD1 ILE 68 1HD1 ILE 68 -6.331 -9.109 -4.677 596 2HD1 ILE 68 2HD1 ILE 68 -6.891 -9.926 -6.140 597 3HD1 ILE 68 3HD1 ILE 68 -5.514 -8.830 -6.212 598 H ALA 69 H ALA 69 -10.100 -7.523 -9.493 599 HA ALA 69 HA ALA 69 -9.063 -6.062 -11.683 600 1HB ALA 69 1HB ALA 69 -10.210 -8.217 -11.910 601 2HB ALA 69 2HB ALA 69 -11.748 -7.477 -11.409 602 3HB ALA 69 3HB ALA 69 -10.971 -6.984 -12.932 603 H GLN 70 H GLN 70 -12.026 -5.418 -9.739 604 HA GLN 70 HA GLN 70 -12.836 -3.002 -10.975 605 1HB GLN 70 1HB GLN 70 -13.026 -3.948 -8.119 606 2HB GLN 70 2HB GLN 70 -13.721 -2.427 -8.659 607 1HG GLN 70 1HG GLN 70 -15.282 -3.465 -10.097 608 2HG GLN 70 2HG GLN 70 -14.438 -5.010 -10.081 609 1HE2 GLN 70 1HE2 GLN 70 -16.097 -6.387 -9.223 610 2HE2 GLN 70 2HE2 GLN 70 -16.785 -6.047 -7.641 611 H VAL 71 H VAL 71 -10.762 -3.142 -7.920 612 HA VAL 71 HA VAL 71 -10.275 -0.378 -8.148 613 HB VAL 71 HB VAL 71 -9.979 -1.922 -6.119 614 1HG1 VAL 71 1HG1 VAL 71 -7.072 -1.965 -7.037 615 2HG1 VAL 71 2HG1 VAL 71 -7.759 -2.643 -5.549 616 3HG1 VAL 71 3HG1 VAL 71 -8.169 -3.361 -7.112 617 1HG2 VAL 71 1HG2 VAL 71 -8.026 0.354 -6.627 618 2HG2 VAL 71 2HG2 VAL 71 -9.706 0.499 -6.065 619 3HG2 VAL 71 3HG2 VAL 71 -8.498 -0.290 -5.045 620 H LYS 72 H LYS 72 -8.518 -2.975 -9.769 621 HA LYS 72 HA LYS 72 -6.407 -1.149 -10.722 622 1HB LYS 72 1HB LYS 72 -7.159 -3.971 -11.598 623 2HB LYS 72 2HB LYS 72 -5.813 -3.016 -12.218 624 1HG LYS 72 1HG LYS 72 -5.358 -2.905 -9.479 625 2HG LYS 72 2HG LYS 72 -6.042 -4.514 -9.675 626 1HD LYS 72 1HD LYS 72 -3.535 -3.381 -10.964 627 2HD LYS 72 2HD LYS 72 -3.673 -4.692 -9.800 628 1HE LYS 72 1HE LYS 72 -3.496 -6.052 -11.589 629 2HE LYS 72 2HE LYS 72 -5.222 -5.727 -11.782 630 1HZ LYS 72 1HZ LYS 72 -2.999 -4.318 -13.153 631 2HZ LYS 72 2HZ LYS 72 -4.063 -5.357 -13.854 632 3HZ LYS 72 3HZ LYS 72 -4.578 -3.898 -13.304 633 H THR 73 H THR 73 -9.560 -2.153 -12.010 634 HA THR 73 HA THR 73 -8.943 -0.867 -14.615 635 HB THR 73 HB THR 73 -10.199 -3.104 -14.271 636 HG1 THR 73 HG1 THR 73 -11.460 -2.564 -16.130 637 1HG2 THR 73 1HG2 THR 73 -12.643 -1.300 -14.278 638 2HG2 THR 73 2HG2 THR 73 -12.560 -3.073 -14.132 639 3HG2 THR 73 3HG2 THR 73 -12.033 -2.047 -12.794 640 H GLU 74 H GLU 74 -10.607 -0.128 -11.633 641 HA GLU 74 HA GLU 74 -11.980 2.249 -12.414 642 1HB GLU 74 1HB GLU 74 -10.720 1.254 -9.834 643 2HB GLU 74 2HB GLU 74 -11.337 2.895 -9.958 644 1HG GLU 74 1HG GLU 74 -13.589 2.053 -10.510 645 2HG GLU 74 2HG GLU 74 -13.015 0.398 -10.335 646 HA PRO 75 HA PRO 75 -8.418 4.880 -13.030 647 1HB PRO 75 1HB PRO 75 -9.537 7.374 -12.837 648 2HB PRO 75 2HB PRO 75 -9.837 6.263 -14.212 649 1HG PRO 75 1HG PRO 75 -11.579 6.721 -11.769 650 2HG PRO 75 2HG PRO 75 -12.075 6.659 -13.493 651 1HD PRO 75 1HD PRO 75 -12.276 4.507 -11.794 652 2HD PRO 75 2HD PRO 75 -11.940 4.320 -13.543 653 HA PRO 76 HA PRO 76 -7.128 5.871 -8.825 654 1HB PRO 76 1HB PRO 76 -4.781 7.190 -9.282 655 2HB PRO 76 2HB PRO 76 -4.978 5.436 -9.584 656 1HG PRO 76 1HG PRO 76 -5.202 7.705 -11.591 657 2HG PRO 76 2HG PRO 76 -4.240 6.197 -11.733 658 1HD PRO 76 1HD PRO 76 -6.721 6.449 -12.844 659 2HD PRO 76 2HD PRO 76 -6.168 4.897 -12.139 660 H ARG 77 H ARG 77 -6.681 7.694 -7.441 661 HA ARG 77 HA ARG 77 -7.487 10.415 -8.160 662 1HB ARG 77 1HB ARG 77 -9.475 10.239 -6.523 663 2HB ARG 77 2HB ARG 77 -9.694 9.660 -8.168 664 1HG ARG 77 1HG ARG 77 -9.795 7.426 -7.574 665 2HG ARG 77 2HG ARG 77 -8.836 7.633 -6.108 666 1HD ARG 77 1HD ARG 77 -10.699 8.778 -5.003 667 2HD ARG 77 2HD ARG 77 -11.718 8.554 -6.429 668 HE ARG 77 HE ARG 77 -10.872 6.546 -4.451 669 1HH1 ARG 77 1HH1 ARG 77 -12.310 6.838 -7.656 670 2HH1 ARG 77 2HH1 ARG 77 -12.832 5.155 -7.650 671 1HH2 ARG 77 1HH2 ARG 77 -11.615 4.390 -4.580 672 2HH2 ARG 77 2HH2 ARG 77 -12.450 3.872 -6.035 673 H GLU 78 H GLU 78 -5.682 11.185 -7.150 674 HA GLU 78 HA GLU 78 -4.863 10.530 -4.446 675 1HB GLU 78 1HB GLU 78 -3.879 12.142 -6.655 676 2HB GLU 78 2HB GLU 78 -4.043 13.181 -5.263 677 1HG GLU 78 1HG GLU 78 -2.004 12.493 -4.677 678 2HG GLU 78 2HG GLU 78 -2.782 11.044 -4.077 Start of MODEL 19 1 1H GLY -2 1H GLY -2 5.079 18.216 8.594 2 2H GLY -2 2H GLY -2 4.584 18.669 10.097 3 3H GLY -2 3H GLY -2 3.756 17.505 9.282 4 1HA GLY -2 1HA GLY -2 6.463 17.344 10.405 5 2HA GLY -2 2HA GLY -2 5.057 16.410 10.930 6 H SER -1 H SER -1 4.335 14.607 9.507 7 HA SER -1 HA SER -1 6.821 13.478 8.322 8 1HB SER -1 1HB SER -1 5.476 13.151 10.954 9 2HB SER -1 2HB SER -1 5.965 11.631 10.197 10 HG SER -1 HG SER -1 7.669 12.546 11.406 11 H HIS 0 H HIS 0 6.562 10.998 8.131 12 HA HIS 0 HA HIS 0 4.083 10.051 6.856 13 1HB HIS 0 1HB HIS 0 5.136 11.171 5.007 14 2HB HIS 0 2HB HIS 0 6.735 10.617 5.478 15 HD1 HIS 0 HD1 HIS 0 7.578 9.094 3.638 16 HD2 HIS 0 HD2 HIS 0 3.508 8.516 4.600 17 HE1 HIS 0 HE1 HIS 0 6.792 7.028 2.299 18 HE2 HIS 0 HE2 HIS 0 4.324 6.648 2.974 19 H MET 1 H MET 1 4.175 7.652 6.516 20 HA MET 1 HA MET 1 6.469 6.149 7.502 21 1HB MET 1 1HB MET 1 4.316 6.680 9.294 22 2HB MET 1 2HB MET 1 3.986 5.072 8.671 23 1HG MET 1 1HG MET 1 6.615 4.757 9.207 24 2HG MET 1 2HG MET 1 6.266 6.054 10.346 25 1HE MET 1 1HE MET 1 4.981 4.185 13.313 26 2HE MET 1 2HE MET 1 6.385 5.077 12.691 27 3HE MET 1 3HE MET 1 4.746 5.755 12.513 28 H THR 2 H THR 2 6.048 3.679 7.178 29 HA THR 2 HA THR 2 3.888 2.894 5.366 30 HB THR 2 HB THR 2 5.518 1.549 3.964 31 HG1 THR 2 HG1 THR 2 7.623 2.426 3.849 32 1HG2 THR 2 1HG2 THR 2 4.432 3.566 3.050 33 2HG2 THR 2 2HG2 THR 2 5.794 4.554 3.639 34 3HG2 THR 2 3HG2 THR 2 6.059 3.311 2.398 35 H LEU 3 H LEU 3 3.689 0.532 5.224 36 HA LEU 3 HA LEU 3 4.790 -0.942 7.578 37 1HB LEU 3 1HB LEU 3 1.902 -0.511 6.747 38 2HB LEU 3 2HB LEU 3 2.365 -1.948 7.615 39 HG LEU 3 HG LEU 3 1.453 -0.474 9.160 40 1HD1 LEU 3 1HD1 LEU 3 3.108 -0.386 10.857 41 2HD1 LEU 3 2HD1 LEU 3 3.531 -1.771 9.840 42 3HD1 LEU 3 3HD1 LEU 3 4.432 -0.243 9.692 43 1HD2 LEU 3 1HD2 LEU 3 3.496 1.696 8.681 44 2HD2 LEU 3 2HD2 LEU 3 1.876 1.693 7.942 45 3HD2 LEU 3 3HD2 LEU 3 2.068 1.718 9.706 46 H ARG 4 H ARG 4 4.146 -3.405 7.384 47 HA ARG 4 HA ARG 4 4.823 -4.265 4.597 48 1HB ARG 4 1HB ARG 4 6.191 -6.029 5.512 49 2HB ARG 4 2HB ARG 4 6.723 -4.476 6.087 50 1HG ARG 4 1HG ARG 4 4.867 -5.552 8.033 51 2HG ARG 4 2HG ARG 4 5.974 -6.829 7.570 52 1HD ARG 4 1HD ARG 4 6.837 -5.667 9.506 53 2HD ARG 4 2HD ARG 4 7.913 -5.409 8.141 54 HE ARG 4 HE ARG 4 6.061 -3.440 9.404 55 1HH1 ARG 4 1HH1 ARG 4 8.644 -3.888 7.056 56 2HH1 ARG 4 2HH1 ARG 4 8.932 -2.181 6.893 57 1HH2 ARG 4 1HH2 ARG 4 6.501 -1.243 9.169 58 2HH2 ARG 4 2HH2 ARG 4 7.649 -0.721 7.996 59 H ILE 5 H ILE 5 4.428 -6.604 4.169 60 HA ILE 5 HA ILE 5 1.721 -7.261 4.249 61 HB ILE 5 HB ILE 5 3.692 -8.249 2.844 62 1HG1 ILE 5 1HG1 ILE 5 1.422 -8.689 2.278 63 2HG1 ILE 5 2HG1 ILE 5 2.354 -10.169 2.165 64 1HG2 ILE 5 1HG2 ILE 5 4.970 -9.375 4.595 65 2HG2 ILE 5 2HG2 ILE 5 3.598 -10.466 4.914 66 3HG2 ILE 5 3HG2 ILE 5 4.404 -10.493 3.351 67 1HD1 ILE 5 1HD1 ILE 5 1.386 -10.609 4.625 68 2HD1 ILE 5 2HD1 ILE 5 0.168 -9.432 4.082 69 3HD1 ILE 5 3HD1 ILE 5 0.445 -10.943 3.186 70 H ARG 6 H ARG 6 4.237 -8.402 6.467 71 HA ARG 6 HA ARG 6 2.692 -10.041 8.124 72 1HB ARG 6 1HB ARG 6 5.298 -9.382 8.037 73 2HB ARG 6 2HB ARG 6 4.844 -8.329 9.382 74 1HG ARG 6 1HG ARG 6 3.953 -10.320 10.600 75 2HG ARG 6 2HG ARG 6 4.327 -11.333 9.191 76 1HD ARG 6 1HD ARG 6 6.765 -10.538 9.449 77 2HD ARG 6 2HD ARG 6 6.304 -9.935 11.040 78 HE ARG 6 HE ARG 6 6.680 -12.702 10.169 79 1HH1 ARG 6 1HH1 ARG 6 5.229 -10.787 12.694 80 2HH1 ARG 6 2HH1 ARG 6 5.193 -12.113 13.832 81 1HH2 ARG 6 1HH2 ARG 6 6.527 -14.399 11.594 82 2HH2 ARG 6 2HH2 ARG 6 5.852 -14.157 13.170 83 H THR 7 H THR 7 2.965 -6.499 8.226 84 HA THR 7 HA THR 7 1.352 -6.152 10.617 85 HB THR 7 HB THR 7 1.830 -4.068 8.478 86 HG1 THR 7 HG1 THR 7 3.508 -4.706 10.654 87 1HG2 THR 7 1HG2 THR 7 1.192 -2.546 10.057 88 2HG2 THR 7 2HG2 THR 7 0.330 -3.898 10.774 89 3HG2 THR 7 3HG2 THR 7 1.917 -3.438 11.406 90 H ILE 8 H ILE 8 0.734 -5.798 7.059 91 HA ILE 8 HA ILE 8 -2.035 -5.100 7.321 92 HB ILE 8 HB ILE 8 -0.690 -6.596 5.029 93 1HG1 ILE 8 1HG1 ILE 8 -1.222 -3.639 5.559 94 2HG1 ILE 8 2HG1 ILE 8 0.340 -4.425 5.352 95 1HG2 ILE 8 1HG2 ILE 8 -3.189 -6.879 5.016 96 2HG2 ILE 8 2HG2 ILE 8 -3.365 -5.111 5.064 97 3HG2 ILE 8 3HG2 ILE 8 -2.629 -5.941 3.672 98 1HD1 ILE 8 1HD1 ILE 8 -1.748 -3.970 3.180 99 2HD1 ILE 8 2HD1 ILE 8 -0.176 -3.220 3.353 100 3HD1 ILE 8 3HD1 ILE 8 -0.286 -4.959 2.971 101 H ALA 9 H ALA 9 -0.469 -8.308 7.132 102 HA ALA 9 HA ALA 9 -2.900 -9.817 7.270 103 1HB ALA 9 1HB ALA 9 -0.574 -10.586 6.516 104 2HB ALA 9 2HB ALA 9 -0.161 -10.723 8.239 105 3HB ALA 9 3HB ALA 9 -1.495 -11.674 7.561 106 H ARG 10 H ARG 10 -0.575 -8.809 9.839 107 HA ARG 10 HA ARG 10 -1.750 -9.971 12.079 108 1HB ARG 10 1HB ARG 10 -0.027 -7.562 11.581 109 2HB ARG 10 2HB ARG 10 -0.757 -7.670 13.164 110 1HG ARG 10 1HG ARG 10 0.722 -10.053 12.003 111 2HG ARG 10 2HG ARG 10 1.584 -8.739 12.826 112 1HD ARG 10 1HD ARG 10 0.374 -9.060 14.862 113 2HD ARG 10 2HD ARG 10 -0.787 -10.161 14.097 114 HE ARG 10 HE ARG 10 1.675 -11.375 13.724 115 1HH1 ARG 10 1HH1 ARG 10 -0.203 -10.420 16.509 116 2HH1 ARG 10 2HH1 ARG 10 0.368 -11.725 17.511 117 1HH2 ARG 10 1HH2 ARG 10 2.338 -13.112 15.012 118 2HH2 ARG 10 2HH2 ARG 10 1.822 -13.191 16.668 119 H MET 11 H MET 11 -3.181 -7.398 10.334 120 HA MET 11 HA MET 11 -5.045 -6.319 12.190 121 1HB MET 11 1HB MET 11 -5.297 -7.143 9.278 122 2HB MET 11 2HB MET 11 -6.576 -6.286 10.128 123 1HG MET 11 1HG MET 11 -3.829 -5.081 10.262 124 2HG MET 11 2HG MET 11 -4.661 -5.013 8.718 125 1HE MET 11 1HE MET 11 -3.574 -2.683 10.328 126 2HE MET 11 2HE MET 11 -4.799 -1.572 10.986 127 3HE MET 11 3HE MET 11 -4.199 -2.920 11.979 128 H THR 12 H THR 12 -5.038 -9.513 10.607 129 HA THR 12 HA THR 12 -7.175 -10.435 12.483 130 HB THR 12 HB THR 12 -8.503 -11.477 10.720 131 HG1 THR 12 HG1 THR 12 -7.008 -10.007 8.865 132 1HG2 THR 12 1HG2 THR 12 -9.580 -9.569 9.726 133 2HG2 THR 12 2HG2 THR 12 -9.117 -9.151 11.385 134 3HG2 THR 12 3HG2 THR 12 -8.169 -8.532 10.018 135 H GLY 13 H GLY 13 -4.392 -11.243 10.536 136 1HA GLY 13 1HA GLY 13 -3.170 -13.172 10.335 137 2HA GLY 13 2HA GLY 13 -4.241 -14.007 11.469 138 H ILE 14 H ILE 14 -6.692 -13.898 10.303 139 HA ILE 14 HA ILE 14 -6.656 -15.949 8.430 140 HB ILE 14 HB ILE 14 -8.860 -16.000 8.491 141 1HG1 ILE 14 1HG1 ILE 14 -10.453 -14.011 8.567 142 2HG1 ILE 14 2HG1 ILE 14 -9.111 -12.997 8.070 143 1HG2 ILE 14 1HG2 ILE 14 -8.160 -15.517 10.845 144 2HG2 ILE 14 2HG2 ILE 14 -8.681 -13.830 10.599 145 3HG2 ILE 14 3HG2 ILE 14 -9.849 -15.149 10.490 146 1HD1 ILE 14 1HD1 ILE 14 -9.074 -14.047 5.894 147 2HD1 ILE 14 2HD1 ILE 14 -9.951 -15.476 6.487 148 3HD1 ILE 14 3HD1 ILE 14 -10.783 -13.924 6.298 149 H ARG 15 H ARG 15 -6.716 -12.490 7.738 150 HA ARG 15 HA ARG 15 -7.004 -12.749 4.908 151 1HB ARG 15 1HB ARG 15 -7.079 -10.654 6.633 152 2HB ARG 15 2HB ARG 15 -5.461 -10.429 6.012 153 1HG ARG 15 1HG ARG 15 -7.215 -10.868 3.748 154 2HG ARG 15 2HG ARG 15 -8.088 -9.844 4.872 155 1HD ARG 15 1HD ARG 15 -5.509 -9.293 3.430 156 2HD ARG 15 2HD ARG 15 -6.984 -8.385 3.337 157 HE ARG 15 HE ARG 15 -4.856 -8.173 5.338 158 1HH1 ARG 15 1HH1 ARG 15 -8.167 -7.221 4.730 159 2HH1 ARG 15 2HH1 ARG 15 -8.150 -6.032 6.011 160 1HH2 ARG 15 1HH2 ARG 15 -4.879 -6.671 6.945 161 2HH2 ARG 15 2HH2 ARG 15 -6.268 -5.626 7.120 162 H GLU 16 H GLU 16 -4.166 -13.516 6.818 163 HA GLU 16 HA GLU 16 -2.109 -12.796 4.976 164 1HB GLU 16 1HB GLU 16 -1.852 -13.763 7.399 165 2HB GLU 16 2HB GLU 16 -2.030 -15.330 6.635 166 1HG GLU 16 1HG GLU 16 -0.144 -14.178 4.965 167 2HG GLU 16 2HG GLU 16 0.208 -13.342 6.463 168 H ALA 17 H ALA 17 -3.958 -15.820 5.300 169 HA ALA 17 HA ALA 17 -2.826 -17.312 3.197 170 1HB ALA 17 1HB ALA 17 -4.271 -18.298 4.876 171 2HB ALA 17 2HB ALA 17 -5.635 -17.269 4.386 172 3HB ALA 17 3HB ALA 17 -5.033 -18.531 3.289 173 H THR 18 H THR 18 -5.097 -14.669 3.074 174 HA THR 18 HA THR 18 -5.787 -15.031 0.213 175 HB THR 18 HB THR 18 -6.640 -13.143 2.419 176 HG1 THR 18 HG1 THR 18 -7.519 -15.275 2.057 177 1HG2 THR 18 1HG2 THR 18 -7.360 -12.929 -0.516 178 2HG2 THR 18 2HG2 THR 18 -8.204 -12.111 0.817 179 3HG2 THR 18 3HG2 THR 18 -6.517 -11.701 0.475 180 H LEU 19 H LEU 19 -3.949 -12.673 2.236 181 HA LEU 19 HA LEU 19 -3.016 -11.001 0.133 182 1HB LEU 19 1HB LEU 19 -1.698 -11.798 2.748 183 2HB LEU 19 2HB LEU 19 -1.158 -10.459 1.731 184 HG LEU 19 HG LEU 19 -3.987 -10.486 2.721 185 1HD1 LEU 19 1HD1 LEU 19 -3.538 -10.008 4.869 186 2HD1 LEU 19 2HD1 LEU 19 -1.930 -10.658 4.594 187 3HD1 LEU 19 3HD1 LEU 19 -2.188 -8.927 4.464 188 1HD2 LEU 19 1HD2 LEU 19 -3.727 -8.058 2.637 189 2HD2 LEU 19 2HD2 LEU 19 -2.017 -8.232 2.186 190 3HD2 LEU 19 3HD2 LEU 19 -3.287 -8.788 1.084 191 H ARG 20 H ARG 20 -1.347 -13.801 1.655 192 HA ARG 20 HA ARG 20 0.905 -13.744 -0.152 193 1HB ARG 20 1HB ARG 20 1.639 -15.673 0.930 194 2HB ARG 20 2HB ARG 20 0.731 -14.826 2.186 195 1HG ARG 20 1HG ARG 20 -1.265 -16.325 1.600 196 2HG ARG 20 2HG ARG 20 -0.194 -17.172 0.483 197 1HD ARG 20 1HD ARG 20 1.319 -17.382 2.697 198 2HD ARG 20 2HD ARG 20 -0.281 -17.252 3.460 199 HE ARG 20 HE ARG 20 -0.214 -19.078 1.196 200 1HH1 ARG 20 1HH1 ARG 20 0.388 -18.959 4.634 201 2HH1 ARG 20 2HH1 ARG 20 0.337 -20.699 4.812 202 1HH2 ARG 20 1HH2 ARG 20 -0.267 -21.260 1.416 203 2HH2 ARG 20 2HH2 ARG 20 -0.048 -21.996 2.972 204 H ALA 21 H ALA 21 -2.257 -15.346 -0.337 205 HA ALA 21 HA ALA 21 -1.684 -16.922 -2.684 206 1HB ALA 21 1HB ALA 21 -4.307 -15.843 -1.567 207 2HB ALA 21 2HB ALA 21 -4.180 -16.918 -2.968 208 3HB ALA 21 3HB ALA 21 -3.632 -17.476 -1.380 209 H TRP 22 H TRP 22 -3.151 -13.614 -2.256 210 HA TRP 22 HA TRP 22 -3.336 -12.996 -5.005 211 1HB TRP 22 1HB TRP 22 -2.656 -11.100 -2.770 212 2HB TRP 22 2HB TRP 22 -3.227 -10.707 -4.399 213 HD1 TRP 22 HD1 TRP 22 -5.614 -12.968 -4.305 214 HE1 TRP 22 HE1 TRP 22 -7.774 -12.203 -3.149 215 HE3 TRP 22 HE3 TRP 22 -3.712 -9.284 -1.345 216 HZ2 TRP 22 HZ2 TRP 22 -8.585 -10.129 -1.366 217 HZ3 TRP 22 HZ3 TRP 22 -5.204 -7.904 0.080 218 HH2 TRP 22 HH2 TRP 22 -7.669 -8.298 0.070 219 H GLU 23 H GLU 23 -0.468 -12.539 -2.843 220 HA GLU 23 HA GLU 23 1.264 -11.353 -4.695 221 1HB GLU 23 1HB GLU 23 2.443 -11.505 -2.840 222 2HB GLU 23 2HB GLU 23 1.569 -12.902 -2.239 223 1HG GLU 23 1HG GLU 23 3.029 -14.441 -3.379 224 2HG GLU 23 2HG GLU 23 3.759 -13.139 -4.329 225 H ARG 24 H ARG 24 0.157 -14.694 -4.730 226 HA ARG 24 HA ARG 24 1.810 -15.237 -7.141 227 1HB ARG 24 1HB ARG 24 1.763 -16.675 -5.016 228 2HB ARG 24 2HB ARG 24 0.182 -17.250 -5.539 229 1HG ARG 24 1HG ARG 24 1.082 -18.431 -7.363 230 2HG ARG 24 2HG ARG 24 2.456 -17.322 -7.529 231 1HD ARG 24 1HD ARG 24 3.339 -18.187 -5.331 232 2HD ARG 24 2HD ARG 24 2.110 -19.467 -5.403 233 HE ARG 24 HE ARG 24 3.291 -19.720 -7.825 234 1HH1 ARG 24 1HH1 ARG 24 4.796 -19.472 -4.681 235 2HH1 ARG 24 2HH1 ARG 24 6.271 -20.249 -5.184 236 1HH2 ARG 24 1HH2 ARG 24 5.204 -20.707 -8.458 237 2HH2 ARG 24 2HH2 ARG 24 6.473 -20.948 -7.297 238 H ARG 25 H ARG 25 -1.526 -14.832 -6.254 239 HA ARG 25 HA ARG 25 -2.647 -15.772 -8.806 240 1HB ARG 25 1HB ARG 25 -3.717 -14.648 -6.238 241 2HB ARG 25 2HB ARG 25 -4.668 -14.374 -7.685 242 1HG ARG 25 1HG ARG 25 -4.878 -16.757 -8.102 243 2HG ARG 25 2HG ARG 25 -3.876 -17.098 -6.681 244 1HD ARG 25 1HD ARG 25 -5.861 -17.257 -5.603 245 2HD ARG 25 2HD ARG 25 -5.752 -15.497 -5.510 246 HE ARG 25 HE ARG 25 -7.069 -15.930 -7.903 247 1HH1 ARG 25 1HH1 ARG 25 -7.784 -16.784 -4.582 248 2HH1 ARG 25 2HH1 ARG 25 -9.500 -16.893 -4.871 249 1HH2 ARG 25 1HH2 ARG 25 -9.255 -16.110 -8.223 250 2HH2 ARG 25 2HH2 ARG 25 -10.302 -16.615 -6.929 251 H TYR 26 H TYR 26 -1.862 -12.549 -7.515 252 HA TYR 26 HA TYR 26 -2.482 -11.339 -10.184 253 1HB TYR 26 1HB TYR 26 -3.573 -10.105 -7.633 254 2HB TYR 26 2HB TYR 26 -3.890 -9.619 -9.286 255 HD1 TYR 26 HD1 TYR 26 -4.901 -11.678 -6.515 256 HD2 TYR 26 HD2 TYR 26 -5.323 -11.158 -10.773 257 HE1 TYR 26 HE1 TYR 26 -6.851 -13.208 -6.522 258 HE2 TYR 26 HE2 TYR 26 -7.342 -12.615 -10.755 259 HH TYR 26 HH TYR 26 -8.984 -13.579 -9.269 260 H GLY 27 H GLY 27 -1.019 -10.894 -6.981 261 1HA GLY 27 1HA GLY 27 1.043 -9.817 -6.612 262 2HA GLY 27 2HA GLY 27 0.761 -8.736 -7.971 263 H PHE 28 H PHE 28 -2.160 -8.582 -6.512 264 HA PHE 28 HA PHE 28 -1.603 -6.055 -5.155 265 1HB PHE 28 1HB PHE 28 -3.523 -6.166 -6.536 266 2HB PHE 28 2HB PHE 28 -4.050 -7.680 -5.833 267 HD1 PHE 28 HD1 PHE 28 -5.175 -7.777 -3.634 268 HD2 PHE 28 HD2 PHE 28 -4.090 -4.012 -5.454 269 HE1 PHE 28 HE1 PHE 28 -6.887 -6.623 -2.272 270 HE2 PHE 28 HE2 PHE 28 -5.756 -2.860 -4.046 271 HZ PHE 28 HZ PHE 28 -7.196 -4.164 -2.492 272 HA PRO 29 HA PRO 29 -1.886 -4.706 -3.402 273 1HB PRO 29 1HB PRO 29 -0.611 -4.040 -1.100 274 2HB PRO 29 2HB PRO 29 -2.376 -4.176 -1.232 275 1HG PRO 29 1HG PRO 29 -0.408 -6.250 -0.185 276 2HG PRO 29 2HG PRO 29 -1.932 -5.741 0.573 277 1HD PRO 29 1HD PRO 29 -1.699 -7.987 -0.989 278 2HD PRO 29 2HD PRO 29 -3.200 -7.022 -0.949 279 H ARG 30 H ARG 30 -0.047 -3.804 -4.161 280 HA ARG 30 HA ARG 30 2.062 -5.775 -4.840 281 1HB ARG 30 1HB ARG 30 2.767 -4.155 -6.547 282 2HB ARG 30 2HB ARG 30 1.111 -4.717 -6.743 283 1HG ARG 30 1HG ARG 30 0.166 -2.635 -6.115 284 2HG ARG 30 2HG ARG 30 1.623 -2.105 -5.290 285 1HD ARG 30 1HD ARG 30 1.773 -0.827 -7.128 286 2HD ARG 30 2HD ARG 30 2.765 -2.203 -7.631 287 HE ARG 30 HE ARG 30 0.072 -2.670 -8.427 288 1HH1 ARG 30 1HH1 ARG 30 2.675 -0.504 -9.224 289 2HH1 ARG 30 2HH1 ARG 30 2.029 -0.056 -10.781 290 1HH2 ARG 30 1HH2 ARG 30 -0.789 -2.061 -10.435 291 2HH2 ARG 30 2HH2 ARG 30 0.095 -0.964 -11.452 292 HA PRO 31 HA PRO 31 4.761 -3.867 -1.852 293 1HB PRO 31 1HB PRO 31 7.149 -5.041 -2.514 294 2HB PRO 31 2HB PRO 31 5.820 -5.895 -1.673 295 1HG PRO 31 1HG PRO 31 6.477 -5.975 -4.619 296 2HG PRO 31 2HG PRO 31 6.106 -7.342 -3.520 297 1HD PRO 31 1HD PRO 31 4.227 -6.207 -5.152 298 2HD PRO 31 2HD PRO 31 3.803 -6.853 -3.536 299 H LEU 32 H LEU 32 5.126 -1.728 -2.172 300 HA LEU 32 HA LEU 32 6.004 -0.661 -4.726 301 1HB LEU 32 1HB LEU 32 6.598 1.424 -3.246 302 2HB LEU 32 2HB LEU 32 4.971 1.056 -3.729 303 HG LEU 32 HG LEU 32 5.793 -0.062 -1.072 304 1HD1 LEU 32 1HD1 LEU 32 5.441 2.055 0.091 305 2HD1 LEU 32 2HD1 LEU 32 6.865 2.126 -0.957 306 3HD1 LEU 32 3HD1 LEU 32 5.349 2.913 -1.468 307 1HD2 LEU 32 1HD2 LEU 32 3.512 0.837 -0.508 308 2HD2 LEU 32 2HD2 LEU 32 3.346 1.418 -2.160 309 3HD2 LEU 32 3HD2 LEU 32 3.480 -0.327 -1.851 310 H ARG 33 H ARG 33 7.960 0.295 -5.286 311 HA ARG 33 HA ARG 33 10.249 -1.304 -4.664 312 1HB ARG 33 1HB ARG 33 9.909 -0.334 -6.846 313 2HB ARG 33 2HB ARG 33 9.976 1.312 -6.204 314 1HG ARG 33 1HG ARG 33 12.259 1.297 -5.954 315 2HG ARG 33 2HG ARG 33 12.355 -0.434 -5.626 316 1HD ARG 33 1HD ARG 33 11.531 0.453 -8.393 317 2HD ARG 33 2HD ARG 33 13.221 0.605 -7.934 318 HE ARG 33 HE ARG 33 11.725 -1.882 -8.377 319 1HH1 ARG 33 1HH1 ARG 33 14.653 -0.549 -7.009 320 2HH1 ARG 33 2HH1 ARG 33 15.499 -2.070 -7.013 321 1HH2 ARG 33 1HH2 ARG 33 12.842 -3.847 -8.363 322 2HH2 ARG 33 2HH2 ARG 33 14.472 -3.894 -7.769 323 H SER 34 H SER 34 11.454 -1.256 -2.914 324 HA SER 34 HA SER 34 12.692 1.018 -1.709 325 1HB SER 34 1HB SER 34 10.249 -0.207 -0.403 326 2HB SER 34 2HB SER 34 11.457 0.664 0.546 327 HG SER 34 HG SER 34 10.343 1.863 -1.755 328 H GLU 35 H GLU 35 13.379 0.052 0.708 329 HA GLU 35 HA GLU 35 14.847 -2.394 0.269 330 1HB GLU 35 1HB GLU 35 15.034 -0.240 2.042 331 2HB GLU 35 2HB GLU 35 14.371 -1.512 3.066 332 1HG GLU 35 1HG GLU 35 16.289 -2.987 1.940 333 2HG GLU 35 2HG GLU 35 16.997 -1.413 1.563 334 H GLY 36 H GLY 36 14.682 -4.145 2.037 335 1HA GLY 36 1HA GLY 36 13.225 -5.562 3.382 336 2HA GLY 36 2HA GLY 36 11.836 -5.015 2.441 337 H ASN 37 H ASN 37 14.330 -7.347 2.698 338 HA ASN 37 HA ASN 37 13.972 -8.500 0.014 339 1HB ASN 37 1HB ASN 37 16.152 -8.625 1.099 340 2HB ASN 37 2HB ASN 37 15.472 -9.446 2.505 341 1HD2 ASN 37 1HD2 ASN 37 16.344 -11.586 2.409 342 2HD2 ASN 37 2HD2 ASN 37 16.246 -12.488 0.902 343 H ASN 38 H ASN 38 13.589 -10.067 3.199 344 HA ASN 38 HA ASN 38 11.596 -11.926 2.261 345 1HB ASN 38 1HB ASN 38 11.766 -11.451 5.204 346 2HB ASN 38 2HB ASN 38 11.884 -12.946 4.293 347 1HD2 ASN 38 1HD2 ASN 38 13.661 -10.295 5.785 348 2HD2 ASN 38 2HD2 ASN 38 15.234 -11.037 5.460 349 H TYR 39 H TYR 39 11.485 -8.845 3.872 350 HA TYR 39 HA TYR 39 8.574 -8.919 4.375 351 1HB TYR 39 1HB TYR 39 10.273 -6.506 4.941 352 2HB TYR 39 2HB TYR 39 8.914 -7.150 5.843 353 HD1 TYR 39 HD1 TYR 39 9.314 -9.302 7.259 354 HD2 TYR 39 HD2 TYR 39 12.510 -6.973 5.533 355 HE1 TYR 39 HE1 TYR 39 10.956 -10.380 8.810 356 HE2 TYR 39 HE2 TYR 39 14.134 -8.046 7.067 357 HH TYR 39 HH TYR 39 14.397 -9.494 8.866 358 H ARG 40 H ARG 40 7.340 -6.996 3.696 359 HA ARG 40 HA ARG 40 8.202 -5.834 1.072 360 1HB ARG 40 1HB ARG 40 5.500 -6.944 1.946 361 2HB ARG 40 2HB ARG 40 5.691 -5.934 0.516 362 1HG ARG 40 1HG ARG 40 7.248 -7.553 -0.492 363 2HG ARG 40 2HG ARG 40 7.253 -8.513 0.985 364 1HD ARG 40 1HD ARG 40 4.615 -8.602 0.533 365 2HD ARG 40 2HD ARG 40 5.130 -8.336 -1.133 366 HE ARG 40 HE ARG 40 5.378 -10.749 0.436 367 1HH1 ARG 40 1HH1 ARG 40 6.873 -9.196 -2.345 368 2HH1 ARG 40 2HH1 ARG 40 7.707 -10.691 -2.746 369 1HH2 ARG 40 1HH2 ARG 40 6.502 -12.457 -0.122 370 2HH2 ARG 40 2HH2 ARG 40 6.711 -12.540 -1.768 371 H VAL 41 H VAL 41 6.683 -3.853 0.569 372 HA VAL 41 HA VAL 41 6.026 -2.368 3.042 373 HB VAL 41 HB VAL 41 6.811 -0.257 1.917 374 1HG1 VAL 41 1HG1 VAL 41 9.099 -0.462 2.768 375 2HG1 VAL 41 2HG1 VAL 41 7.922 -1.186 3.883 376 3HG1 VAL 41 3HG1 VAL 41 8.930 -2.226 2.852 377 1HG2 VAL 41 1HG2 VAL 41 8.849 -1.901 0.430 378 2HG2 VAL 41 2HG2 VAL 41 7.284 -1.604 -0.327 379 3HG2 VAL 41 3HG2 VAL 41 8.263 -0.230 0.164 380 H TYR 42 H TYR 42 4.306 -1.168 2.983 381 HA TYR 42 HA TYR 42 2.717 -0.879 0.492 382 1HB TYR 42 1HB TYR 42 1.875 -1.989 3.186 383 2HB TYR 42 2HB TYR 42 0.758 -1.577 1.882 384 HD1 TYR 42 HD1 TYR 42 2.337 -4.321 3.300 385 HD2 TYR 42 HD2 TYR 42 1.643 -2.506 -0.555 386 HE1 TYR 42 HE1 TYR 42 2.532 -6.555 2.161 387 HE2 TYR 42 HE2 TYR 42 1.962 -4.657 -1.613 388 HH TYR 42 HH TYR 42 1.805 -6.900 -1.292 389 H SER 43 H SER 43 0.927 0.511 0.668 390 HA SER 43 HA SER 43 1.441 2.954 2.298 391 1HB SER 43 1HB SER 43 1.998 3.122 -0.138 392 2HB SER 43 2HB SER 43 0.314 2.721 -0.520 393 HG SER 43 HG SER 43 0.605 4.950 -0.484 394 H ARG 44 H ARG 44 -0.519 4.349 2.391 395 HA ARG 44 HA ARG 44 -2.647 2.920 3.744 396 1HB ARG 44 1HB ARG 44 -1.748 5.442 4.019 397 2HB ARG 44 2HB ARG 44 -3.002 5.775 2.827 398 1HG ARG 44 1HG ARG 44 -4.187 6.054 4.809 399 2HG ARG 44 2HG ARG 44 -4.542 4.354 4.474 400 1HD ARG 44 1HD ARG 44 -2.528 3.779 5.962 401 2HD ARG 44 2HD ARG 44 -2.455 5.502 6.372 402 HE ARG 44 HE ARG 44 -5.039 4.134 6.785 403 1HH1 ARG 44 1HH1 ARG 44 -2.150 5.314 8.374 404 2HH1 ARG 44 2HH1 ARG 44 -2.832 5.170 9.971 405 1HH2 ARG 44 1HH2 ARG 44 -5.867 3.932 8.854 406 2HH2 ARG 44 2HH2 ARG 44 -4.902 4.394 10.221 407 H GLU 45 H GLU 45 -2.361 4.287 0.501 408 HA GLU 45 HA GLU 45 -5.052 3.910 -0.393 409 1HB GLU 45 1HB GLU 45 -3.947 3.830 -2.690 410 2HB GLU 45 2HB GLU 45 -3.731 5.294 -1.727 411 1HG GLU 45 1HG GLU 45 -1.482 4.744 -1.154 412 2HG GLU 45 2HG GLU 45 -1.626 3.102 -1.774 413 H GLU 46 H GLU 46 -2.224 1.732 -0.774 414 HA GLU 46 HA GLU 46 -3.603 -0.489 -1.881 415 1HB GLU 46 1HB GLU 46 -1.115 -0.319 -0.120 416 2HB GLU 46 2HB GLU 46 -1.696 -1.827 -0.805 417 1HG GLU 46 1HG GLU 46 -0.907 0.601 -2.467 418 2HG GLU 46 2HG GLU 46 0.161 -0.743 -2.079 419 H VAL 47 H VAL 47 -2.841 0.230 1.572 420 HA VAL 47 HA VAL 47 -4.278 -1.992 2.644 421 HB VAL 47 HB VAL 47 -3.536 0.688 3.850 422 1HG1 VAL 47 1HG1 VAL 47 -4.962 -1.650 5.204 423 2HG1 VAL 47 2HG1 VAL 47 -4.116 -0.353 6.076 424 3HG1 VAL 47 3HG1 VAL 47 -5.531 0.031 5.093 425 1HG2 VAL 47 1HG2 VAL 47 -1.939 -0.713 5.095 426 2HG2 VAL 47 2HG2 VAL 47 -2.644 -2.176 4.379 427 3HG2 VAL 47 3HG2 VAL 47 -1.751 -1.025 3.362 428 H GLU 48 H GLU 48 -5.525 1.320 1.865 429 HA GLU 48 HA GLU 48 -8.077 0.857 2.948 430 1HB GLU 48 1HB GLU 48 -7.191 3.098 2.194 431 2HB GLU 48 2HB GLU 48 -7.397 2.575 0.523 432 1HG GLU 48 1HG GLU 48 -9.257 3.959 1.079 433 2HG GLU 48 2HG GLU 48 -9.854 2.316 0.927 434 H ALA 49 H ALA 49 -7.004 0.387 -0.454 435 HA ALA 49 HA ALA 49 -9.391 -0.817 -1.424 436 1HB ALA 49 1HB ALA 49 -6.484 -1.309 -2.209 437 2HB ALA 49 2HB ALA 49 -7.917 -1.778 -3.156 438 3HB ALA 49 3HB ALA 49 -7.559 -0.062 -2.869 439 H VAL 50 H VAL 50 -6.468 -2.428 -0.058 440 HA VAL 50 HA VAL 50 -7.381 -5.100 -0.157 441 HB VAL 50 HB VAL 50 -5.462 -3.664 1.697 442 1HG1 VAL 50 1HG1 VAL 50 -4.536 -5.984 2.173 443 2HG1 VAL 50 2HG1 VAL 50 -6.016 -5.546 3.029 444 3HG1 VAL 50 3HG1 VAL 50 -6.103 -6.624 1.622 445 1HG2 VAL 50 1HG2 VAL 50 -4.944 -3.947 -0.798 446 2HG2 VAL 50 2HG2 VAL 50 -3.786 -4.594 0.358 447 3HG2 VAL 50 3HG2 VAL 50 -4.909 -5.684 -0.504 448 H ARG 51 H ARG 51 -7.782 -2.755 2.498 449 HA ARG 51 HA ARG 51 -9.136 -4.448 4.356 450 1HB ARG 51 1HB ARG 51 -8.061 -2.261 4.821 451 2HB ARG 51 2HB ARG 51 -9.303 -1.440 3.869 452 1HG ARG 51 1HG ARG 51 -11.019 -2.250 5.541 453 2HG ARG 51 2HG ARG 51 -9.693 -2.986 6.462 454 1HD ARG 51 1HD ARG 51 -10.006 -0.883 7.499 455 2HD ARG 51 2HD ARG 51 -8.593 -0.661 6.482 456 HE ARG 51 HE ARG 51 -9.871 0.758 4.976 457 1HH1 ARG 51 1HH1 ARG 51 -11.969 -0.406 7.527 458 2HH1 ARG 51 2HH1 ARG 51 -13.116 0.891 7.252 459 1HH2 ARG 51 1HH2 ARG 51 -11.196 2.228 4.676 460 2HH2 ARG 51 2HH2 ARG 51 -12.682 2.475 5.601 461 H ARG 52 H ARG 52 -10.398 -2.299 1.800 462 HA ARG 52 HA ARG 52 -13.168 -2.994 2.148 463 1HB ARG 52 1HB ARG 52 -11.641 -1.284 0.437 464 2HB ARG 52 2HB ARG 52 -12.513 -2.370 -0.647 465 1HG ARG 52 1HG ARG 52 -14.637 -1.810 0.444 466 2HG ARG 52 2HG ARG 52 -13.775 -0.877 1.680 467 1HD ARG 52 1HD ARG 52 -12.861 0.420 -0.506 468 2HD ARG 52 2HD ARG 52 -14.405 -0.129 -1.162 469 HE ARG 52 HE ARG 52 -13.932 1.977 0.719 470 1HH1 ARG 52 1HH1 ARG 52 -16.358 -0.447 0.077 471 2HH1 ARG 52 2HH1 ARG 52 -17.573 0.315 1.067 472 1HH2 ARG 52 1HH2 ARG 52 -15.487 2.942 1.987 473 2HH2 ARG 52 2HH2 ARG 52 -17.071 2.237 2.119 474 H VAL 53 H VAL 53 -10.807 -4.251 -0.202 475 HA VAL 53 HA VAL 53 -12.392 -6.274 -1.355 476 HB VAL 53 HB VAL 53 -9.382 -6.245 -0.903 477 1HG1 VAL 53 1HG1 VAL 53 -9.363 -7.860 -2.844 478 2HG1 VAL 53 2HG1 VAL 53 -10.010 -8.485 -1.330 479 3HG1 VAL 53 3HG1 VAL 53 -11.122 -8.034 -2.626 480 1HG2 VAL 53 1HG2 VAL 53 -11.162 -4.889 -2.846 481 2HG2 VAL 53 2HG2 VAL 53 -9.487 -4.560 -2.424 482 3HG2 VAL 53 3HG2 VAL 53 -9.840 -5.797 -3.607 483 H ALA 54 H ALA 54 -10.265 -6.593 1.537 484 HA ALA 54 HA ALA 54 -10.846 -9.266 2.192 485 1HB ALA 54 1HB ALA 54 -9.077 -7.916 3.180 486 2HB ALA 54 2HB ALA 54 -10.274 -6.896 4.013 487 3HB ALA 54 3HB ALA 54 -10.113 -8.614 4.451 488 H ARG 55 H ARG 55 -12.614 -6.306 3.355 489 HA ARG 55 HA ARG 55 -14.555 -7.889 4.806 490 1HB ARG 55 1HB ARG 55 -14.053 -5.378 5.117 491 2HB ARG 55 2HB ARG 55 -15.062 -5.114 3.686 492 1HG ARG 55 1HG ARG 55 -16.669 -6.814 5.206 493 2HG ARG 55 2HG ARG 55 -15.813 -5.962 6.472 494 1HD ARG 55 1HD ARG 55 -17.250 -4.555 4.179 495 2HD ARG 55 2HD ARG 55 -18.068 -5.062 5.665 496 HE ARG 55 HE ARG 55 -15.765 -3.546 6.366 497 1HH1 ARG 55 1HH1 ARG 55 -18.938 -3.062 5.005 498 2HH1 ARG 55 2HH1 ARG 55 -19.176 -1.502 5.743 499 1HH2 ARG 55 1HH2 ARG 55 -16.096 -1.547 7.357 500 2HH2 ARG 55 2HH2 ARG 55 -17.552 -0.652 7.034 501 H LEU 56 H LEU 56 -14.536 -6.626 1.461 502 HA LEU 56 HA LEU 56 -17.115 -7.589 0.699 503 1HB LEU 56 1HB LEU 56 -14.630 -6.638 -0.628 504 2HB LEU 56 2HB LEU 56 -15.418 -7.899 -1.504 505 HG LEU 56 HG LEU 56 -16.127 -5.883 -2.425 506 1HD1 LEU 56 1HD1 LEU 56 -17.882 -7.689 -2.078 507 2HD1 LEU 56 2HD1 LEU 56 -18.493 -6.717 -0.729 508 3HD1 LEU 56 3HD1 LEU 56 -18.497 -6.047 -2.360 509 1HD2 LEU 56 1HD2 LEU 56 -17.008 -4.976 0.338 510 2HD2 LEU 56 2HD2 LEU 56 -15.634 -4.347 -0.606 511 3HD2 LEU 56 3HD2 LEU 56 -17.293 -4.109 -1.189 512 H ILE 57 H ILE 57 -13.958 -9.279 0.735 513 HA ILE 57 HA ILE 57 -14.905 -11.759 -0.307 514 HB ILE 57 HB ILE 57 -12.543 -10.999 1.403 515 1HG1 ILE 57 1HG1 ILE 57 -12.626 -12.047 -1.445 516 2HG1 ILE 57 2HG1 ILE 57 -12.896 -10.354 -1.107 517 1HG2 ILE 57 1HG2 ILE 57 -11.831 -13.482 0.319 518 2HG2 ILE 57 2HG2 ILE 57 -12.183 -13.129 2.012 519 3HG2 ILE 57 3HG2 ILE 57 -13.434 -13.786 0.950 520 1HD1 ILE 57 1HD1 ILE 57 -10.594 -10.712 -1.636 521 2HD1 ILE 57 2HD1 ILE 57 -10.731 -10.175 0.054 522 3HD1 ILE 57 3HD1 ILE 57 -10.390 -11.874 -0.304 523 H GLN 58 H GLN 58 -15.021 -10.522 3.039 524 HA GLN 58 HA GLN 58 -16.077 -12.965 4.154 525 1HB GLN 58 1HB GLN 58 -15.997 -10.086 5.000 526 2HB GLN 58 2HB GLN 58 -17.242 -11.083 5.729 527 1HG GLN 58 1HG GLN 58 -14.255 -11.669 5.773 528 2HG GLN 58 2HG GLN 58 -15.217 -11.005 7.097 529 1HE2 GLN 58 1HE2 GLN 58 -13.989 -13.963 5.838 530 2HE2 GLN 58 2HE2 GLN 58 -15.143 -14.963 6.735 531 H GLU 59 H GLU 59 -17.600 -10.854 1.821 532 HA GLU 59 HA GLU 59 -20.282 -11.820 2.584 533 1HB GLU 59 1HB GLU 59 -19.549 -10.229 0.107 534 2HB GLU 59 2HB GLU 59 -21.135 -10.487 0.834 535 1HG GLU 59 1HG GLU 59 -20.054 -9.354 2.968 536 2HG GLU 59 2HG GLU 59 -18.859 -8.750 1.822 537 H GLU 60 H GLU 60 -17.887 -12.463 0.050 538 HA GLU 60 HA GLU 60 -19.131 -15.123 -0.408 539 1HB GLU 60 1HB GLU 60 -19.093 -12.978 -2.543 540 2HB GLU 60 2HB GLU 60 -18.782 -14.646 -3.005 541 1HG GLU 60 1HG GLU 60 -20.933 -15.299 -1.794 542 2HG GLU 60 2HG GLU 60 -21.311 -13.569 -1.741 543 H GLY 61 H GLY 61 -16.418 -12.983 -1.253 544 1HA GLY 61 1HA GLY 61 -14.134 -13.722 -1.179 545 2HA GLY 61 2HA GLY 61 -14.637 -15.374 -1.483 546 H LEU 62 H LEU 62 -16.416 -14.375 -3.758 547 HA LEU 62 HA LEU 62 -14.839 -14.463 -6.082 548 1HB LEU 62 1HB LEU 62 -17.159 -14.668 -6.316 549 2HB LEU 62 2HB LEU 62 -17.496 -13.254 -5.329 550 HG LEU 62 HG LEU 62 -16.805 -11.748 -7.128 551 1HD1 LEU 62 1HD1 LEU 62 -16.341 -14.310 -8.727 552 2HD1 LEU 62 2HD1 LEU 62 -16.565 -12.713 -9.462 553 3HD1 LEU 62 3HD1 LEU 62 -15.176 -13.000 -8.431 554 1HD2 LEU 62 1HD2 LEU 62 -18.798 -13.822 -8.101 555 2HD2 LEU 62 2HD2 LEU 62 -19.155 -12.568 -6.895 556 3HD2 LEU 62 3HD2 LEU 62 -18.719 -12.103 -8.548 557 H SER 63 H SER 63 -15.687 -11.612 -4.136 558 HA SER 63 HA SER 63 -14.393 -9.603 -5.559 559 1HB SER 63 1HB SER 63 -15.016 -10.012 -2.646 560 2HB SER 63 2HB SER 63 -14.093 -8.590 -3.169 561 HG SER 63 HG SER 63 -15.786 -7.868 -4.292 562 H VAL 64 H VAL 64 -12.662 -12.244 -4.048 563 HA VAL 64 HA VAL 64 -10.080 -10.958 -3.878 564 HB VAL 64 HB VAL 64 -10.932 -13.778 -4.661 565 1HG1 VAL 64 1HG1 VAL 64 -9.049 -13.702 -5.945 566 2HG1 VAL 64 2HG1 VAL 64 -8.264 -12.460 -4.978 567 3HG1 VAL 64 3HG1 VAL 64 -8.301 -14.143 -4.405 568 1HG2 VAL 64 1HG2 VAL 64 -9.651 -14.386 -2.603 569 2HG2 VAL 64 2HG2 VAL 64 -9.379 -12.663 -2.284 570 3HG2 VAL 64 3HG2 VAL 64 -11.021 -13.342 -2.273 571 H SER 65 H SER 65 -11.642 -12.607 -6.687 572 HA SER 65 HA SER 65 -9.660 -11.445 -8.519 573 1HB SER 65 1HB SER 65 -11.508 -13.582 -8.658 574 2HB SER 65 2HB SER 65 -12.136 -12.382 -9.797 575 HG SER 65 HG SER 65 -10.521 -12.779 -11.048 576 H GLU 66 H GLU 66 -13.081 -10.888 -7.687 577 HA GLU 66 HA GLU 66 -13.415 -8.983 -9.737 578 1HB GLU 66 1HB GLU 66 -15.070 -10.389 -7.893 579 2HB GLU 66 2HB GLU 66 -15.427 -8.688 -7.655 580 1HG GLU 66 1HG GLU 66 -16.900 -9.599 -9.334 581 2HG GLU 66 2HG GLU 66 -15.827 -8.416 -10.078 582 H ALA 67 H ALA 67 -12.882 -8.312 -6.188 583 HA ALA 67 HA ALA 67 -13.209 -5.467 -6.712 584 1HB ALA 67 1HB ALA 67 -12.760 -5.123 -4.429 585 2HB ALA 67 2HB ALA 67 -13.832 -6.522 -4.553 586 3HB ALA 67 3HB ALA 67 -12.099 -6.758 -4.227 587 H ILE 68 H ILE 68 -10.514 -7.768 -6.747 588 HA ILE 68 HA ILE 68 -8.433 -5.751 -6.985 589 HB ILE 68 HB ILE 68 -8.500 -8.671 -7.810 590 1HG1 ILE 68 1HG1 ILE 68 -7.053 -7.107 -5.621 591 2HG1 ILE 68 2HG1 ILE 68 -8.494 -8.068 -5.353 592 1HG2 ILE 68 1HG2 ILE 68 -6.048 -8.450 -8.193 593 2HG2 ILE 68 2HG2 ILE 68 -6.964 -7.501 -9.346 594 3HG2 ILE 68 3HG2 ILE 68 -6.178 -6.690 -7.969 595 1HD1 ILE 68 1HD1 ILE 68 -6.669 -9.364 -4.586 596 2HD1 ILE 68 2HD1 ILE 68 -7.192 -10.120 -6.097 597 3HD1 ILE 68 3HD1 ILE 68 -5.734 -9.122 -6.066 598 H ALA 69 H ALA 69 -10.233 -7.697 -9.500 599 HA ALA 69 HA ALA 69 -9.177 -6.299 -11.712 600 1HB ALA 69 1HB ALA 69 -10.408 -8.410 -11.890 601 2HB ALA 69 2HB ALA 69 -11.910 -7.607 -11.379 602 3HB ALA 69 3HB ALA 69 -11.142 -7.168 -12.923 603 H GLN 70 H GLN 70 -12.094 -5.507 -9.763 604 HA GLN 70 HA GLN 70 -12.824 -3.081 -11.043 605 1HB GLN 70 1HB GLN 70 -13.052 -4.006 -8.177 606 2HB GLN 70 2HB GLN 70 -13.722 -2.481 -8.733 607 1HG GLN 70 1HG GLN 70 -15.308 -3.494 -10.140 608 2HG GLN 70 2HG GLN 70 -14.469 -5.039 -10.171 609 1HE2 GLN 70 1HE2 GLN 70 -15.947 -6.510 -9.244 610 2HE2 GLN 70 2HE2 GLN 70 -16.728 -6.144 -7.695 611 H VAL 71 H VAL 71 -10.757 -3.283 -7.993 612 HA VAL 71 HA VAL 71 -10.133 -0.535 -8.238 613 HB VAL 71 HB VAL 71 -9.932 -2.090 -6.194 614 1HG1 VAL 71 1HG1 VAL 71 -8.179 -3.601 -7.190 615 2HG1 VAL 71 2HG1 VAL 71 -7.023 -2.256 -7.089 616 3HG1 VAL 71 3HG1 VAL 71 -7.760 -2.918 -5.616 617 1HG2 VAL 71 1HG2 VAL 71 -7.900 0.112 -6.708 618 2HG2 VAL 71 2HG2 VAL 71 -9.561 0.303 -6.108 619 3HG2 VAL 71 3HG2 VAL 71 -8.352 -0.532 -5.124 620 H LYS 72 H LYS 72 -8.564 -3.215 -9.891 621 HA LYS 72 HA LYS 72 -6.365 -1.495 -10.856 622 1HB LYS 72 1HB LYS 72 -7.284 -4.248 -11.792 623 2HB LYS 72 2HB LYS 72 -5.890 -3.357 -12.415 624 1HG LYS 72 1HG LYS 72 -5.294 -3.279 -9.755 625 2HG LYS 72 2HG LYS 72 -6.214 -4.775 -9.799 626 1HD LYS 72 1HD LYS 72 -3.673 -4.114 -11.312 627 2HD LYS 72 2HD LYS 72 -3.913 -5.312 -10.031 628 1HE LYS 72 1HE LYS 72 -5.649 -6.372 -11.713 629 2HE LYS 72 2HE LYS 72 -4.819 -5.387 -12.923 630 1HZ LYS 72 1HZ LYS 72 -3.583 -7.460 -11.205 631 2HZ LYS 72 2HZ LYS 72 -3.811 -7.548 -12.830 632 3HZ LYS 72 3HZ LYS 72 -2.728 -6.480 -12.205 633 H THR 73 H THR 73 -9.587 -2.382 -12.136 634 HA THR 73 HA THR 73 -8.986 -1.012 -14.673 635 HB THR 73 HB THR 73 -10.425 -3.092 -14.409 636 HG1 THR 73 HG1 THR 73 -10.220 -1.862 -16.293 637 1HG2 THR 73 1HG2 THR 73 -12.099 -1.672 -12.747 638 2HG2 THR 73 2HG2 THR 73 -12.894 -1.452 -14.304 639 3HG2 THR 73 3HG2 THR 73 -12.561 -3.086 -13.694 640 H GLU 74 H GLU 74 -10.514 -0.176 -11.630 641 HA GLU 74 HA GLU 74 -11.599 2.365 -12.463 642 1HB GLU 74 1HB GLU 74 -10.947 1.130 -9.767 643 2HB GLU 74 2HB GLU 74 -11.585 2.768 -9.952 644 1HG GLU 74 1HG GLU 74 -13.555 1.895 -11.166 645 2HG GLU 74 2HG GLU 74 -12.973 0.245 -10.961 646 HA PRO 75 HA PRO 75 -7.439 4.171 -12.482 647 1HB PRO 75 1HB PRO 75 -8.045 6.667 -13.463 648 2HB PRO 75 2HB PRO 75 -7.937 5.193 -14.472 649 1HG PRO 75 1HG PRO 75 -10.421 6.499 -13.334 650 2HG PRO 75 2HG PRO 75 -10.152 5.870 -14.991 651 1HD PRO 75 1HD PRO 75 -11.453 4.455 -13.036 652 2HD PRO 75 2HD PRO 75 -10.471 3.657 -14.303 653 HA PRO 76 HA PRO 76 -7.850 6.041 -8.440 654 1HB PRO 76 1HB PRO 76 -5.275 6.847 -7.945 655 2HB PRO 76 2HB PRO 76 -5.786 5.131 -7.961 656 1HG PRO 76 1HG PRO 76 -4.494 6.711 -10.206 657 2HG PRO 76 2HG PRO 76 -4.041 5.088 -9.591 658 1HD PRO 76 1HD PRO 76 -5.616 5.415 -11.792 659 2HD PRO 76 2HD PRO 76 -5.903 4.074 -10.638 660 H ARG 77 H ARG 77 -8.605 7.951 -7.788 661 HA ARG 77 HA ARG 77 -7.527 10.530 -8.700 662 1HB ARG 77 1HB ARG 77 -9.154 9.641 -10.447 663 2HB ARG 77 2HB ARG 77 -10.423 9.750 -9.253 664 1HG ARG 77 1HG ARG 77 -10.758 11.899 -9.734 665 2HG ARG 77 2HG ARG 77 -9.100 12.327 -9.306 666 1HD ARG 77 1HD ARG 77 -8.345 12.233 -11.504 667 2HD ARG 77 2HD ARG 77 -9.544 11.018 -11.978 668 HE ARG 77 HE ARG 77 -10.693 13.610 -11.327 669 1HH1 ARG 77 1HH1 ARG 77 -9.357 11.697 -13.922 670 2HH1 ARG 77 2HH1 ARG 77 -10.337 12.435 -15.162 671 1HH2 ARG 77 1HH2 ARG 77 -11.969 14.549 -12.941 672 2HH2 ARG 77 2HH2 ARG 77 -11.779 14.047 -14.594 673 H GLU 78 H GLU 78 -7.251 11.450 -6.759 674 HA GLU 78 HA GLU 78 -9.215 11.430 -4.553 675 1HB GLU 78 1HB GLU 78 -6.458 12.438 -5.048 676 2HB GLU 78 2HB GLU 78 -7.474 13.591 -4.203 677 1HG GLU 78 1HG GLU 78 -7.117 10.705 -3.290 678 2HG GLU 78 2HG GLU 78 -6.087 12.029 -2.767 Start of MODEL 20 1 1H GLY -2 1H GLY -2 7.292 18.177 5.598 2 2H GLY -2 2H GLY -2 6.047 19.246 5.780 3 3H GLY -2 3H GLY -2 7.339 19.291 6.798 4 1HA GLY -2 1HA GLY -2 6.197 18.067 8.201 5 2HA GLY -2 2HA GLY -2 4.989 17.695 6.955 6 H SER -1 H SER -1 4.914 15.588 6.307 7 HA SER -1 HA SER -1 6.847 13.949 7.835 8 1HB SER -1 1HB SER -1 3.827 13.721 7.618 9 2HB SER -1 2HB SER -1 4.894 12.953 8.818 10 HG SER -1 HG SER -1 3.878 14.836 9.654 11 H HIS 0 H HIS 0 6.551 11.593 7.671 12 HA HIS 0 HA HIS 0 5.737 10.424 5.106 13 1HB HIS 0 1HB HIS 0 8.559 10.210 6.260 14 2HB HIS 0 2HB HIS 0 7.961 9.269 4.903 15 HD1 HIS 0 HD1 HIS 0 10.253 11.864 5.232 16 HD2 HIS 0 HD2 HIS 0 6.707 11.386 2.994 17 HE1 HIS 0 HE1 HIS 0 10.431 13.484 3.223 18 HE2 HIS 0 HE2 HIS 0 8.252 13.176 1.868 19 H MET 1 H MET 1 5.974 7.908 5.298 20 HA MET 1 HA MET 1 6.292 6.787 7.928 21 1HB MET 1 1HB MET 1 3.739 7.718 7.519 22 2HB MET 1 2HB MET 1 3.587 6.111 6.811 23 1HG MET 1 1HG MET 1 4.508 5.162 8.962 24 2HG MET 1 2HG MET 1 4.581 6.807 9.605 25 1HE MET 1 1HE MET 1 3.305 4.672 11.276 26 2HE MET 1 2HE MET 1 3.177 6.387 11.728 27 3HE MET 1 3HE MET 1 1.732 5.354 11.749 28 H THR 2 H THR 2 5.747 4.273 7.774 29 HA THR 2 HA THR 2 6.068 3.118 5.075 30 HB THR 2 HB THR 2 7.770 1.511 5.993 31 HG1 THR 2 HG1 THR 2 8.171 3.409 8.016 32 1HG2 THR 2 1HG2 THR 2 9.696 3.363 6.242 33 2HG2 THR 2 2HG2 THR 2 8.978 2.928 4.683 34 3HG2 THR 2 3HG2 THR 2 8.450 4.398 5.522 35 H LEU 3 H LEU 3 5.305 0.897 4.977 36 HA LEU 3 HA LEU 3 4.050 -0.260 7.369 37 1HB LEU 3 1HB LEU 3 2.625 1.020 5.098 38 2HB LEU 3 2HB LEU 3 2.188 -0.652 5.259 39 HG LEU 3 HG LEU 3 0.572 0.601 6.367 40 1HD1 LEU 3 1HD1 LEU 3 0.577 -0.255 8.618 41 2HD1 LEU 3 2HD1 LEU 3 1.211 -1.481 7.487 42 3HD1 LEU 3 3HD1 LEU 3 2.317 -0.571 8.562 43 1HD2 LEU 3 1HD2 LEU 3 0.804 2.215 8.047 44 2HD2 LEU 3 2HD2 LEU 3 2.512 1.852 8.316 45 3HD2 LEU 3 3HD2 LEU 3 2.001 2.662 6.818 46 H ARG 4 H ARG 4 3.251 -2.525 6.907 47 HA ARG 4 HA ARG 4 4.521 -3.930 4.679 48 1HB ARG 4 1HB ARG 4 5.794 -5.468 5.997 49 2HB ARG 4 2HB ARG 4 6.346 -3.847 6.323 50 1HG ARG 4 1HG ARG 4 4.290 -4.924 8.263 51 2HG ARG 4 2HG ARG 4 5.806 -5.794 8.179 52 1HD ARG 4 1HD ARG 4 6.420 -4.364 9.783 53 2HD ARG 4 2HD ARG 4 6.883 -3.367 8.404 54 HE ARG 4 HE ARG 4 4.141 -2.993 9.440 55 1HH1 ARG 4 1HH1 ARG 4 7.445 -1.828 9.670 56 2HH1 ARG 4 2HH1 ARG 4 6.991 -0.346 10.457 57 1HH2 ARG 4 1HH2 ARG 4 3.610 -1.077 10.534 58 2HH2 ARG 4 2HH2 ARG 4 4.866 0.067 10.883 59 H ILE 5 H ILE 5 3.977 -6.236 4.587 60 HA ILE 5 HA ILE 5 1.259 -6.677 4.675 61 HB ILE 5 HB ILE 5 3.140 -8.153 3.555 62 1HG1 ILE 5 1HG1 ILE 5 1.471 -10.090 3.389 63 2HG1 ILE 5 2HG1 ILE 5 0.466 -9.222 4.537 64 1HG2 ILE 5 1HG2 ILE 5 2.612 -9.941 5.938 65 2HG2 ILE 5 2HG2 ILE 5 3.597 -10.277 4.517 66 3HG2 ILE 5 3HG2 ILE 5 4.124 -9.035 5.658 67 1HD1 ILE 5 1HD1 ILE 5 0.881 -7.252 2.660 68 2HD1 ILE 5 2HD1 ILE 5 0.976 -8.700 1.649 69 3HD1 ILE 5 3HD1 ILE 5 -0.469 -8.376 2.629 70 H ARG 6 H ARG 6 3.417 -7.359 7.338 71 HA ARG 6 HA ARG 6 1.727 -8.970 8.907 72 1HB ARG 6 1HB ARG 6 4.219 -8.393 9.143 73 2HB ARG 6 2HB ARG 6 3.715 -6.974 10.073 74 1HG ARG 6 1HG ARG 6 2.692 -8.413 11.777 75 2HG ARG 6 2HG ARG 6 2.843 -9.823 10.725 76 1HD ARG 6 1HD ARG 6 4.684 -10.301 11.886 77 2HD ARG 6 2HD ARG 6 5.471 -9.110 10.849 78 HE ARG 6 HE ARG 6 4.306 -7.905 13.215 79 1HH1 ARG 6 1HH1 ARG 6 7.109 -9.743 12.218 80 2HH1 ARG 6 2HH1 ARG 6 8.069 -9.253 13.585 81 1HH2 ARG 6 1HH2 ARG 6 5.561 -7.326 15.000 82 2HH2 ARG 6 2HH2 ARG 6 7.190 -7.910 15.122 83 H THR 7 H THR 7 1.454 -5.528 8.351 84 HA THR 7 HA THR 7 -0.561 -5.143 10.471 85 HB THR 7 HB THR 7 0.155 -3.419 8.071 86 HG1 THR 7 HG1 THR 7 1.120 -2.163 9.587 87 1HG2 THR 7 1HG2 THR 7 -1.615 -2.800 10.490 88 2HG2 THR 7 2HG2 THR 7 -1.065 -1.607 9.299 89 3HG2 THR 7 3HG2 THR 7 -2.149 -2.895 8.796 90 H ILE 8 H ILE 8 -0.513 -5.691 6.952 91 HA ILE 8 HA ILE 8 -3.327 -5.276 6.542 92 HB ILE 8 HB ILE 8 -1.471 -6.903 4.764 93 1HG1 ILE 8 1HG1 ILE 8 -1.702 -3.877 4.977 94 2HG1 ILE 8 2HG1 ILE 8 -0.255 -4.861 5.173 95 1HG2 ILE 8 1HG2 ILE 8 -3.969 -6.874 4.305 96 2HG2 ILE 8 2HG2 ILE 8 -3.857 -5.111 4.113 97 3HG2 ILE 8 3HG2 ILE 8 -2.985 -6.203 3.012 98 1HD1 ILE 8 1HD1 ILE 8 -1.714 -4.303 2.569 99 2HD1 ILE 8 2HD1 ILE 8 -0.083 -3.812 3.049 100 3HD1 ILE 8 3HD1 ILE 8 -0.438 -5.519 2.736 101 H ALA 9 H ALA 9 -1.328 -8.188 7.049 102 HA ALA 9 HA ALA 9 -3.372 -10.168 7.096 103 1HB ALA 9 1HB ALA 9 -1.008 -10.722 7.018 104 2HB ALA 9 2HB ALA 9 -0.710 -9.916 8.572 105 3HB ALA 9 3HB ALA 9 -1.691 -11.387 8.519 106 H ARG 10 H ARG 10 -2.038 -8.206 9.793 107 HA ARG 10 HA ARG 10 -3.508 -9.203 11.940 108 1HB ARG 10 1HB ARG 10 -1.886 -7.855 12.700 109 2HB ARG 10 2HB ARG 10 -1.976 -6.752 11.343 110 1HG ARG 10 1HG ARG 10 -3.852 -5.551 12.319 111 2HG ARG 10 2HG ARG 10 -3.946 -6.718 13.651 112 1HD ARG 10 1HD ARG 10 -2.897 -4.686 14.397 113 2HD ARG 10 2HD ARG 10 -1.770 -6.053 14.476 114 HE ARG 10 HE ARG 10 -1.439 -4.670 11.996 115 1HH1 ARG 10 1HH1 ARG 10 -0.856 -4.132 15.377 116 2HH1 ARG 10 2HH1 ARG 10 0.566 -3.155 15.145 117 1HH2 ARG 10 1HH2 ARG 10 0.532 -3.403 11.669 118 2HH2 ARG 10 2HH2 ARG 10 1.291 -2.788 13.104 119 H MET 11 H MET 11 -4.867 -7.270 9.395 120 HA MET 11 HA MET 11 -7.230 -6.312 10.657 121 1HB MET 11 1HB MET 11 -6.816 -7.422 7.851 122 2HB MET 11 2HB MET 11 -8.254 -6.544 8.371 123 1HG MET 11 1HG MET 11 -5.452 -5.372 8.519 124 2HG MET 11 2HG MET 11 -6.516 -5.178 7.134 125 1HE MET 11 1HE MET 11 -4.980 -3.180 8.836 126 2HE MET 11 2HE MET 11 -6.052 -1.850 9.336 127 3HE MET 11 3HE MET 11 -5.598 -3.110 10.506 128 H THR 12 H THR 12 -6.358 -9.611 9.825 129 HA THR 12 HA THR 12 -8.809 -10.613 11.216 130 HB THR 12 HB THR 12 -9.283 -12.261 9.394 131 HG1 THR 12 HG1 THR 12 -7.417 -10.607 8.068 132 1HG2 THR 12 1HG2 THR 12 -9.478 -9.427 8.292 133 2HG2 THR 12 2HG2 THR 12 -10.440 -10.850 7.838 134 3HG2 THR 12 3HG2 THR 12 -10.614 -10.147 9.459 135 H GLY 13 H GLY 13 -5.474 -11.151 10.290 136 1HA GLY 13 1HA GLY 13 -4.016 -12.881 10.744 137 2HA GLY 13 2HA GLY 13 -5.293 -13.792 11.560 138 H ILE 14 H ILE 14 -7.230 -14.197 9.826 139 HA ILE 14 HA ILE 14 -6.140 -16.263 8.244 140 HB ILE 14 HB ILE 14 -8.101 -17.115 8.089 141 1HG1 ILE 14 1HG1 ILE 14 -8.882 -15.861 6.143 142 2HG1 ILE 14 2HG1 ILE 14 -10.142 -16.378 7.229 143 1HG2 ILE 14 1HG2 ILE 14 -9.815 -16.452 9.674 144 2HG2 ILE 14 2HG2 ILE 14 -8.200 -16.288 10.377 145 3HG2 ILE 14 3HG2 ILE 14 -9.094 -14.846 9.844 146 1HD1 ILE 14 1HD1 ILE 14 -9.083 -13.535 7.150 147 2HD1 ILE 14 2HD1 ILE 14 -10.528 -14.114 6.305 148 3HD1 ILE 14 3HD1 ILE 14 -10.478 -14.125 8.076 149 H ARG 15 H ARG 15 -6.777 -12.976 7.241 150 HA ARG 15 HA ARG 15 -6.640 -13.506 4.397 151 1HB ARG 15 1HB ARG 15 -6.051 -10.992 5.995 152 2HB ARG 15 2HB ARG 15 -6.023 -11.043 4.240 153 1HG ARG 15 1HG ARG 15 -8.520 -11.761 5.837 154 2HG ARG 15 2HG ARG 15 -8.118 -10.137 5.316 155 1HD ARG 15 1HD ARG 15 -9.647 -10.954 3.736 156 2HD ARG 15 2HD ARG 15 -8.068 -11.045 2.933 157 HE ARG 15 HE ARG 15 -8.866 -13.485 4.344 158 1HH1 ARG 15 1HH1 ARG 15 -9.305 -11.836 1.309 159 2HH1 ARG 15 2HH1 ARG 15 -9.328 -13.310 0.371 160 1HH2 ARG 15 1HH2 ARG 15 -9.055 -15.382 3.128 161 2HH2 ARG 15 2HH2 ARG 15 -9.325 -15.265 1.416 162 H GLU 16 H GLU 16 -3.983 -13.560 6.738 163 HA GLU 16 HA GLU 16 -1.951 -12.711 4.958 164 1HB GLU 16 1HB GLU 16 -1.756 -13.320 7.435 165 2HB GLU 16 2HB GLU 16 -1.558 -14.996 6.908 166 1HG GLU 16 1HG GLU 16 0.399 -14.381 5.554 167 2HG GLU 16 2HG GLU 16 0.127 -12.666 5.860 168 H ALA 17 H ALA 17 -3.440 -15.910 5.227 169 HA ALA 17 HA ALA 17 -1.901 -17.312 3.309 170 1HB ALA 17 1HB ALA 17 -3.853 -18.834 3.237 171 2HB ALA 17 2HB ALA 17 -3.440 -18.381 4.902 172 3HB ALA 17 3HB ALA 17 -4.833 -17.625 4.094 173 H THR 18 H THR 18 -4.551 -15.001 2.840 174 HA THR 18 HA THR 18 -4.819 -15.567 -0.033 175 HB THR 18 HB THR 18 -6.632 -14.484 1.614 176 HG1 THR 18 HG1 THR 18 -6.303 -13.681 -1.057 177 1HG2 THR 18 1HG2 THR 18 -5.344 -12.002 0.342 178 2HG2 THR 18 2HG2 THR 18 -7.008 -12.077 0.804 179 3HG2 THR 18 3HG2 THR 18 -5.800 -12.241 2.038 180 H LEU 19 H LEU 19 -3.340 -13.068 2.050 181 HA LEU 19 HA LEU 19 -2.565 -11.320 -0.049 182 1HB LEU 19 1HB LEU 19 -1.328 -11.770 2.699 183 2HB LEU 19 2HB LEU 19 -0.990 -10.385 1.668 184 HG LEU 19 HG LEU 19 -3.812 -11.029 2.592 185 1HD1 LEU 19 1HD1 LEU 19 -3.640 -9.859 4.541 186 2HD1 LEU 19 2HD1 LEU 19 -2.021 -10.578 4.508 187 3HD1 LEU 19 3HD1 LEU 19 -2.250 -8.902 4.001 188 1HD2 LEU 19 1HD2 LEU 19 -4.255 -8.675 2.184 189 2HD2 LEU 19 2HD2 LEU 19 -2.572 -8.425 1.651 190 3HD2 LEU 19 3HD2 LEU 19 -3.655 -9.479 0.725 191 H ARG 20 H ARG 20 -0.648 -13.821 1.627 192 HA ARG 20 HA ARG 20 1.629 -13.628 -0.167 193 1HB ARG 20 1HB ARG 20 2.495 -15.525 1.028 194 2HB ARG 20 2HB ARG 20 1.718 -14.443 2.177 195 1HG ARG 20 1HG ARG 20 0.708 -16.319 2.961 196 2HG ARG 20 2HG ARG 20 -0.393 -16.091 1.601 197 1HD ARG 20 1HD ARG 20 1.401 -17.535 0.283 198 2HD ARG 20 2HD ARG 20 1.896 -18.013 1.917 199 HE ARG 20 HE ARG 20 -0.983 -18.188 1.140 200 1HH1 ARG 20 1HH1 ARG 20 1.944 -19.975 1.901 201 2HH1 ARG 20 2HH1 ARG 20 1.136 -21.514 1.954 202 1HH2 ARG 20 1HH2 ARG 20 -1.979 -20.179 1.197 203 2HH2 ARG 20 2HH2 ARG 20 -1.063 -21.615 1.558 204 H ALA 21 H ALA 21 -1.439 -15.197 -0.602 205 HA ALA 21 HA ALA 21 -0.455 -16.928 -2.783 206 1HB ALA 21 1HB ALA 21 -2.834 -17.408 -3.168 207 2HB ALA 21 2HB ALA 21 -2.393 -17.682 -1.476 208 3HB ALA 21 3HB ALA 21 -3.302 -16.227 -1.932 209 H TRP 22 H TRP 22 -2.487 -13.953 -2.484 210 HA TRP 22 HA TRP 22 -2.896 -13.352 -5.173 211 1HB TRP 22 1HB TRP 22 -2.415 -11.403 -2.911 212 2HB TRP 22 2HB TRP 22 -3.095 -11.043 -4.491 213 HD1 TRP 22 HD1 TRP 22 -5.113 -13.779 -4.133 214 HE1 TRP 22 HE1 TRP 22 -7.378 -13.170 -3.051 215 HE3 TRP 22 HE3 TRP 22 -3.765 -9.458 -1.816 216 HZ2 TRP 22 HZ2 TRP 22 -8.458 -11.032 -1.406 217 HZ3 TRP 22 HZ3 TRP 22 -5.401 -8.138 -0.521 218 HH2 TRP 22 HH2 TRP 22 -7.741 -8.919 -0.282 219 H GLU 23 H GLU 23 -0.005 -12.655 -3.239 220 HA GLU 23 HA GLU 23 1.419 -11.024 -4.978 221 1HB GLU 23 1HB GLU 23 1.931 -11.835 -2.631 222 2HB GLU 23 2HB GLU 23 2.610 -13.291 -3.326 223 1HG GLU 23 1HG GLU 23 3.603 -10.679 -4.475 224 2HG GLU 23 2HG GLU 23 3.916 -10.924 -2.763 225 H ARG 24 H ARG 24 1.025 -14.560 -5.266 226 HA ARG 24 HA ARG 24 2.338 -14.483 -7.969 227 1HB ARG 24 1HB ARG 24 1.749 -16.719 -6.008 228 2HB ARG 24 2HB ARG 24 1.908 -17.076 -7.732 229 1HG ARG 24 1HG ARG 24 4.148 -16.027 -7.786 230 2HG ARG 24 2HG ARG 24 4.007 -15.636 -6.067 231 1HD ARG 24 1HD ARG 24 5.355 -17.563 -6.185 232 2HD ARG 24 2HD ARG 24 3.778 -18.121 -5.600 233 HE ARG 24 HE ARG 24 3.765 -18.412 -8.406 234 1HH1 ARG 24 1HH1 ARG 24 5.569 -19.787 -5.757 235 2HH1 ARG 24 2HH1 ARG 24 5.998 -21.239 -6.624 236 1HH2 ARG 24 1HH2 ARG 24 4.343 -20.296 -9.524 237 2HH2 ARG 24 2HH2 ARG 24 5.300 -21.504 -8.725 238 H ARG 25 H ARG 25 -0.771 -14.726 -6.480 239 HA ARG 25 HA ARG 25 -2.121 -15.899 -8.779 240 1HB ARG 25 1HB ARG 25 -2.669 -15.621 -6.089 241 2HB ARG 25 2HB ARG 25 -3.776 -14.454 -6.778 242 1HG ARG 25 1HG ARG 25 -4.827 -16.262 -8.112 243 2HG ARG 25 2HG ARG 25 -3.607 -17.408 -7.493 244 1HD ARG 25 1HD ARG 25 -4.340 -16.711 -5.134 245 2HD ARG 25 2HD ARG 25 -5.723 -15.907 -5.892 246 HE ARG 25 HE ARG 25 -5.744 -18.540 -6.836 247 1HH1 ARG 25 1HH1 ARG 25 -5.978 -17.021 -3.692 248 2HH1 ARG 25 2HH1 ARG 25 -6.883 -18.331 -2.985 249 1HH2 ARG 25 1HH2 ARG 25 -6.895 -20.243 -5.874 250 2HH2 ARG 25 2HH2 ARG 25 -7.383 -20.118 -4.214 251 H TYR 26 H TYR 26 -1.710 -12.545 -7.724 252 HA TYR 26 HA TYR 26 -2.778 -11.587 -10.342 253 1HB TYR 26 1HB TYR 26 -3.741 -10.374 -7.728 254 2HB TYR 26 2HB TYR 26 -4.255 -9.955 -9.352 255 HD1 TYR 26 HD1 TYR 26 -5.631 -11.623 -10.704 256 HD2 TYR 26 HD2 TYR 26 -4.767 -12.114 -6.513 257 HE1 TYR 26 HE1 TYR 26 -7.428 -13.350 -10.537 258 HE2 TYR 26 HE2 TYR 26 -6.484 -13.887 -6.366 259 HH TYR 26 HH TYR 26 -8.088 -15.105 -7.505 260 H GLY 27 H GLY 27 -0.761 -10.895 -7.484 261 1HA GLY 27 1HA GLY 27 0.996 -9.366 -7.342 262 2HA GLY 27 2HA GLY 27 0.526 -8.634 -8.871 263 H PHE 28 H PHE 28 -1.902 -9.020 -6.325 264 HA PHE 28 HA PHE 28 -1.674 -6.141 -5.574 265 1HB PHE 28 1HB PHE 28 -3.565 -6.274 -7.015 266 2HB PHE 28 2HB PHE 28 -4.139 -7.742 -6.247 267 HD1 PHE 28 HD1 PHE 28 -5.191 -7.694 -3.972 268 HD2 PHE 28 HD2 PHE 28 -4.095 -4.074 -6.053 269 HE1 PHE 28 HE1 PHE 28 -6.723 -6.401 -2.527 270 HE2 PHE 28 HE2 PHE 28 -5.613 -2.780 -4.577 271 HZ PHE 28 HZ PHE 28 -6.943 -3.938 -2.833 272 HA PRO 29 HA PRO 29 -1.774 -4.820 -3.768 273 1HB PRO 29 1HB PRO 29 -0.228 -4.425 -1.531 274 2HB PRO 29 2HB PRO 29 -1.992 -4.314 -1.576 275 1HG PRO 29 1HG PRO 29 -0.253 -6.646 -0.701 276 2HG PRO 29 2HG PRO 29 -1.696 -5.984 0.129 277 1HD PRO 29 1HD PRO 29 -1.782 -8.199 -1.481 278 2HD PRO 29 2HD PRO 29 -3.151 -7.054 -1.383 279 H ARG 30 H ARG 30 0.520 -3.698 -3.748 280 HA ARG 30 HA ARG 30 2.184 -5.635 -5.333 281 1HB ARG 30 1HB ARG 30 2.519 -3.932 -7.000 282 2HB ARG 30 2HB ARG 30 0.842 -4.370 -6.786 283 1HG ARG 30 1HG ARG 30 0.312 -2.225 -6.669 284 2HG ARG 30 2HG ARG 30 1.060 -2.161 -5.093 285 1HD ARG 30 1HD ARG 30 2.483 -0.644 -5.857 286 2HD ARG 30 2HD ARG 30 3.243 -1.893 -6.848 287 HE ARG 30 HE ARG 30 0.849 -0.792 -8.069 288 1HH1 ARG 30 1HH1 ARG 30 4.231 -0.117 -7.671 289 2HH1 ARG 30 2HH1 ARG 30 4.315 0.972 -9.039 290 1HH2 ARG 30 1HH2 ARG 30 0.944 0.611 -9.803 291 2HH2 ARG 30 2HH2 ARG 30 2.449 1.354 -10.239 292 HA PRO 31 HA PRO 31 4.807 -4.340 -1.967 293 1HB PRO 31 1HB PRO 31 7.100 -5.800 -2.564 294 2HB PRO 31 2HB PRO 31 5.635 -6.438 -1.759 295 1HG PRO 31 1HG PRO 31 6.310 -6.566 -4.704 296 2HG PRO 31 2HG PRO 31 5.772 -7.904 -3.629 297 1HD PRO 31 1HD PRO 31 4.002 -6.645 -5.188 298 2HD PRO 31 2HD PRO 31 3.561 -6.992 -3.483 299 H LEU 32 H LEU 32 5.923 -2.513 -1.731 300 HA LEU 32 HA LEU 32 6.617 -0.999 -4.066 301 1HB LEU 32 1HB LEU 32 7.679 -0.311 -1.320 302 2HB LEU 32 2HB LEU 32 7.325 0.763 -2.662 303 HG LEU 32 HG LEU 32 5.353 -0.626 -0.827 304 1HD1 LEU 32 1HD1 LEU 32 5.837 2.325 -1.379 305 2HD1 LEU 32 2HD1 LEU 32 4.779 1.621 -0.138 306 3HD1 LEU 32 3HD1 LEU 32 6.533 1.427 -0.012 307 1HD2 LEU 32 1HD2 LEU 32 3.550 0.589 -2.017 308 2HD2 LEU 32 2HD2 LEU 32 4.712 1.099 -3.264 309 3HD2 LEU 32 3HD2 LEU 32 4.300 -0.623 -3.043 310 H ARG 33 H ARG 33 8.612 -0.229 -4.804 311 HA ARG 33 HA ARG 33 10.770 -2.111 -4.936 312 1HB ARG 33 1HB ARG 33 11.880 -0.465 -6.351 313 2HB ARG 33 2HB ARG 33 10.190 -0.683 -6.790 314 1HG ARG 33 1HG ARG 33 9.761 1.437 -5.289 315 2HG ARG 33 2HG ARG 33 11.504 1.703 -5.459 316 1HD ARG 33 1HD ARG 33 11.304 1.833 -7.875 317 2HD ARG 33 2HD ARG 33 9.593 1.348 -7.790 318 HE ARG 33 HE ARG 33 10.231 3.717 -6.217 319 1HH1 ARG 33 1HH1 ARG 33 9.327 2.729 -9.432 320 2HH1 ARG 33 2HH1 ARG 33 8.450 4.198 -9.777 321 1HH2 ARG 33 1HH2 ARG 33 9.098 5.597 -6.663 322 2HH2 ARG 33 2HH2 ARG 33 8.344 5.802 -8.212 323 H SER 34 H SER 34 11.622 -2.616 -2.962 324 HA SER 34 HA SER 34 13.690 -0.915 -1.873 325 1HB SER 34 1HB SER 34 11.002 -1.133 -0.524 326 2HB SER 34 2HB SER 34 12.443 -1.112 0.508 327 HG SER 34 HG SER 34 12.054 0.737 -1.689 328 H GLU 35 H GLU 35 14.411 -2.015 0.345 329 HA GLU 35 HA GLU 35 14.983 -4.803 -0.180 330 1HB GLU 35 1HB GLU 35 16.271 -2.853 1.229 331 2HB GLU 35 2HB GLU 35 15.368 -3.604 2.544 332 1HG GLU 35 1HG GLU 35 16.350 -5.859 1.412 333 2HG GLU 35 2HG GLU 35 17.538 -4.732 0.768 334 H GLY 36 H GLY 36 14.645 -6.413 1.680 335 1HA GLY 36 1HA GLY 36 13.108 -7.183 3.450 336 2HA GLY 36 2HA GLY 36 11.788 -6.371 2.607 337 H ASN 37 H ASN 37 13.333 -9.291 3.053 338 HA ASN 37 HA ASN 37 12.171 -10.520 0.581 339 1HB ASN 37 1HB ASN 37 14.429 -11.313 2.448 340 2HB ASN 37 2HB ASN 37 13.626 -12.517 1.436 341 1HD2 ASN 37 1HD2 ASN 37 13.880 -12.431 -0.890 342 2HD2 ASN 37 2HD2 ASN 37 15.119 -11.349 -1.538 343 H ASN 38 H ASN 38 12.523 -11.441 4.056 344 HA ASN 38 HA ASN 38 10.249 -13.197 4.074 345 1HB ASN 38 1HB ASN 38 12.114 -13.297 5.688 346 2HB ASN 38 2HB ASN 38 11.688 -11.699 6.318 347 1HD2 ASN 38 1HD2 ASN 38 9.987 -11.551 7.871 348 2HD2 ASN 38 2HD2 ASN 38 9.142 -13.031 8.371 349 H TYR 39 H TYR 39 10.443 -9.764 4.099 350 HA TYR 39 HA TYR 39 7.585 -9.476 4.850 351 1HB TYR 39 1HB TYR 39 9.207 -7.088 5.376 352 2HB TYR 39 2HB TYR 39 7.996 -7.862 6.371 353 HD1 TYR 39 HD1 TYR 39 8.662 -9.353 8.192 354 HD2 TYR 39 HD2 TYR 39 11.584 -7.764 5.450 355 HE1 TYR 39 HE1 TYR 39 10.521 -10.145 9.690 356 HE2 TYR 39 HE2 TYR 39 13.420 -8.584 6.909 357 HH TYR 39 HH TYR 39 13.945 -9.675 8.868 358 H ARG 40 H ARG 40 6.474 -7.989 3.648 359 HA ARG 40 HA ARG 40 7.803 -6.797 1.244 360 1HB ARG 40 1HB ARG 40 5.088 -8.090 1.631 361 2HB ARG 40 2HB ARG 40 5.425 -7.011 0.295 362 1HG ARG 40 1HG ARG 40 6.469 -8.610 -0.908 363 2HG ARG 40 2HG ARG 40 7.471 -9.125 0.457 364 1HD ARG 40 1HD ARG 40 5.701 -10.485 1.351 365 2HD ARG 40 2HD ARG 40 4.535 -9.880 0.160 366 HE ARG 40 HE ARG 40 6.181 -11.034 -1.572 367 1HH1 ARG 40 1HH1 ARG 40 5.136 -12.381 1.500 368 2HH1 ARG 40 2HH1 ARG 40 5.278 -14.017 0.899 369 1HH2 ARG 40 1HH2 ARG 40 6.258 -13.000 -2.252 370 2HH2 ARG 40 2HH2 ARG 40 5.921 -14.399 -1.236 371 H VAL 41 H VAL 41 7.721 -4.692 1.167 372 HA VAL 41 HA VAL 41 6.356 -3.014 3.130 373 HB VAL 41 HB VAL 41 7.375 -1.171 1.661 374 1HG1 VAL 41 1HG1 VAL 41 9.281 -3.156 2.962 375 2HG1 VAL 41 2HG1 VAL 41 9.617 -1.453 2.596 376 3HG1 VAL 41 3HG1 VAL 41 8.374 -1.866 3.792 377 1HG2 VAL 41 1HG2 VAL 41 9.143 -3.380 0.528 378 2HG2 VAL 41 2HG2 VAL 41 7.764 -2.721 -0.368 379 3HG2 VAL 41 3HG2 VAL 41 9.080 -1.662 0.112 380 H TYR 42 H TYR 42 4.663 -1.592 2.757 381 HA TYR 42 HA TYR 42 3.451 -1.418 0.046 382 1HB TYR 42 1HB TYR 42 1.924 -2.371 2.492 383 2HB TYR 42 2HB TYR 42 1.203 -1.957 0.945 384 HD1 TYR 42 HD1 TYR 42 1.938 -3.283 -1.167 385 HD2 TYR 42 HD2 TYR 42 2.835 -4.533 2.852 386 HE1 TYR 42 HE1 TYR 42 2.222 -5.638 -1.954 387 HE2 TYR 42 HE2 TYR 42 3.218 -6.832 2.029 388 HH TYR 42 HH TYR 42 2.746 -8.308 0.276 389 H SER 43 H SER 43 1.683 0.141 -0.041 390 HA SER 43 HA SER 43 2.164 2.466 1.809 391 1HB SER 43 1HB SER 43 2.754 2.724 -0.602 392 2HB SER 43 2HB SER 43 1.034 2.514 -1.004 393 HG SER 43 HG SER 43 1.545 4.714 -0.799 394 H ARG 44 H ARG 44 0.353 3.978 2.043 395 HA ARG 44 HA ARG 44 -1.837 2.624 3.385 396 1HB ARG 44 1HB ARG 44 -0.661 5.015 3.803 397 2HB ARG 44 2HB ARG 44 -1.984 5.564 2.785 398 1HG ARG 44 1HG ARG 44 -2.831 5.781 4.938 399 2HG ARG 44 2HG ARG 44 -3.555 4.261 4.423 400 1HD ARG 44 1HD ARG 44 -2.181 2.968 5.822 401 2HD ARG 44 2HD ARG 44 -0.885 4.158 5.857 402 HE ARG 44 HE ARG 44 -3.080 3.966 7.702 403 1HH1 ARG 44 1HH1 ARG 44 -1.003 6.356 6.230 404 2HH1 ARG 44 2HH1 ARG 44 -1.146 7.484 7.551 405 1HH2 ARG 44 1HH2 ARG 44 -3.254 5.447 9.403 406 2HH2 ARG 44 2HH2 ARG 44 -2.407 6.958 9.302 407 H GLU 45 H GLU 45 -1.555 4.271 0.331 408 HA GLU 45 HA GLU 45 -4.260 4.521 -0.495 409 1HB GLU 45 1HB GLU 45 -3.135 4.344 -2.849 410 2HB GLU 45 2HB GLU 45 -2.779 5.722 -1.807 411 1HG GLU 45 1HG GLU 45 -0.647 4.889 -1.187 412 2HG GLU 45 2HG GLU 45 -0.967 3.282 -1.823 413 H GLU 46 H GLU 46 -1.976 1.926 -1.568 414 HA GLU 46 HA GLU 46 -4.066 0.226 -2.514 415 1HB GLU 46 1HB GLU 46 -2.410 -1.528 -2.619 416 2HB GLU 46 2HB GLU 46 -1.735 -0.012 -3.236 417 1HG GLU 46 1HG GLU 46 -0.652 0.364 -1.016 418 2HG GLU 46 2HG GLU 46 -1.222 -1.230 -0.482 419 H VAL 47 H VAL 47 -2.557 0.473 0.759 420 HA VAL 47 HA VAL 47 -3.920 -1.754 1.876 421 HB VAL 47 HB VAL 47 -2.781 0.759 3.066 422 1HG1 VAL 47 1HG1 VAL 47 -4.283 -1.369 4.637 423 2HG1 VAL 47 2HG1 VAL 47 -3.174 -0.170 5.343 424 3HG1 VAL 47 3HG1 VAL 47 -4.660 0.369 4.558 425 1HG2 VAL 47 1HG2 VAL 47 -1.225 -0.841 4.071 426 2HG2 VAL 47 2HG2 VAL 47 -2.216 -2.195 3.483 427 3HG2 VAL 47 3HG2 VAL 47 -1.335 -1.178 2.334 428 H GLU 48 H GLU 48 -5.198 1.606 1.454 429 HA GLU 48 HA GLU 48 -7.676 1.132 2.774 430 1HB GLU 48 1HB GLU 48 -6.928 3.351 1.976 431 2HB GLU 48 2HB GLU 48 -7.163 2.839 0.308 432 1HG GLU 48 1HG GLU 48 -9.305 3.519 0.428 433 2HG GLU 48 2HG GLU 48 -9.636 2.230 1.581 434 H ALA 49 H ALA 49 -6.849 0.640 -0.677 435 HA ALA 49 HA ALA 49 -9.296 -0.577 -1.479 436 1HB ALA 49 1HB ALA 49 -7.988 -1.480 -3.362 437 2HB ALA 49 2HB ALA 49 -7.623 0.236 -3.083 438 3HB ALA 49 3HB ALA 49 -6.477 -1.016 -2.564 439 H VAL 50 H VAL 50 -6.251 -2.142 -0.325 440 HA VAL 50 HA VAL 50 -7.245 -4.806 -0.408 441 HB VAL 50 HB VAL 50 -5.117 -3.681 1.448 442 1HG1 VAL 50 1HG1 VAL 50 -4.375 -6.190 1.311 443 2HG1 VAL 50 2HG1 VAL 50 -5.724 -5.783 2.389 444 3HG1 VAL 50 3HG1 VAL 50 -6.039 -6.503 0.803 445 1HG2 VAL 50 1HG2 VAL 50 -4.674 -3.564 -1.113 446 2HG2 VAL 50 2HG2 VAL 50 -3.515 -4.404 -0.081 447 3HG2 VAL 50 3HG2 VAL 50 -4.674 -5.326 -1.069 448 H ARG 51 H ARG 51 -7.371 -2.450 2.333 449 HA ARG 51 HA ARG 51 -8.551 -4.236 4.212 450 1HB ARG 51 1HB ARG 51 -7.848 -1.514 4.257 451 2HB ARG 51 2HB ARG 51 -9.605 -1.460 4.315 452 1HG ARG 51 1HG ARG 51 -9.285 -3.311 6.190 453 2HG ARG 51 2HG ARG 51 -7.636 -2.681 6.261 454 1HD ARG 51 1HD ARG 51 -10.173 -0.981 6.548 455 2HD ARG 51 2HD ARG 51 -9.317 -1.717 7.891 456 HE ARG 51 HE ARG 51 -7.671 -0.165 7.807 457 1HH1 ARG 51 1HH1 ARG 51 -9.424 0.473 4.808 458 2HH1 ARG 51 2HH1 ARG 51 -8.976 2.173 4.753 459 1HH2 ARG 51 1HH2 ARG 51 -7.173 1.995 7.733 460 2HH2 ARG 51 2HH2 ARG 51 -7.686 2.919 6.337 461 H ARG 52 H ARG 52 -10.058 -2.114 1.803 462 HA ARG 52 HA ARG 52 -12.783 -2.946 2.199 463 1HB ARG 52 1HB ARG 52 -11.284 -1.359 0.203 464 2HB ARG 52 2HB ARG 52 -12.531 -2.366 -0.544 465 1HG ARG 52 1HG ARG 52 -14.217 -1.511 1.007 466 2HG ARG 52 2HG ARG 52 -13.008 -0.491 1.809 467 1HD ARG 52 1HD ARG 52 -12.858 0.994 -0.009 468 2HD ARG 52 2HD ARG 52 -13.378 -0.226 -1.172 469 HE ARG 52 HE ARG 52 -15.519 0.424 -0.914 470 1HH1 ARG 52 1HH1 ARG 52 -13.926 1.543 1.982 471 2HH1 ARG 52 2HH1 ARG 52 -15.390 2.174 2.692 472 1HH2 ARG 52 1HH2 ARG 52 -17.382 1.211 0.013 473 2HH2 ARG 52 2HH2 ARG 52 -17.319 1.992 1.563 474 H VAL 53 H VAL 53 -10.489 -4.127 -0.301 475 HA VAL 53 HA VAL 53 -12.043 -6.248 -1.288 476 HB VAL 53 HB VAL 53 -9.014 -6.141 -0.995 477 1HG1 VAL 53 1HG1 VAL 53 -10.725 -7.984 -2.705 478 2HG1 VAL 53 2HG1 VAL 53 -8.960 -7.818 -2.815 479 3HG1 VAL 53 3HG1 VAL 53 -9.691 -8.458 -1.349 480 1HG2 VAL 53 1HG2 VAL 53 -9.323 -4.463 -2.528 481 2HG2 VAL 53 2HG2 VAL 53 -9.531 -5.780 -3.665 482 3HG2 VAL 53 3HG2 VAL 53 -10.948 -4.987 -2.959 483 H ALA 54 H ALA 54 -9.651 -6.521 1.400 484 HA ALA 54 HA ALA 54 -10.073 -9.201 2.071 485 1HB ALA 54 1HB ALA 54 -9.218 -8.474 4.326 486 2HB ALA 54 2HB ALA 54 -8.230 -7.894 2.964 487 3HB ALA 54 3HB ALA 54 -9.351 -6.793 3.800 488 H ARG 55 H ARG 55 -11.867 -6.332 3.390 489 HA ARG 55 HA ARG 55 -13.594 -8.114 4.928 490 1HB ARG 55 1HB ARG 55 -12.885 -5.724 5.523 491 2HB ARG 55 2HB ARG 55 -14.133 -5.164 4.409 492 1HG ARG 55 1HG ARG 55 -14.906 -7.273 6.437 493 2HG ARG 55 2HG ARG 55 -14.507 -5.697 7.084 494 1HD ARG 55 1HD ARG 55 -16.460 -5.806 4.783 495 2HD ARG 55 2HD ARG 55 -16.981 -6.374 6.378 496 HE ARG 55 HE ARG 55 -15.655 -3.840 6.609 497 1HH1 ARG 55 1HH1 ARG 55 -18.755 -5.152 5.619 498 2HH1 ARG 55 2HH1 ARG 55 -19.656 -3.803 6.240 499 1HH2 ARG 55 1HH2 ARG 55 -16.839 -2.128 7.424 500 2HH2 ARG 55 2HH2 ARG 55 -18.566 -2.107 7.236 501 H LEU 56 H LEU 56 -13.808 -6.726 1.700 502 HA LEU 56 HA LEU 56 -16.522 -7.516 1.180 503 1HB LEU 56 1HB LEU 56 -14.288 -6.417 -0.328 504 2HB LEU 56 2HB LEU 56 -14.865 -7.811 -1.155 505 HG LEU 56 HG LEU 56 -15.942 -6.009 -2.127 506 1HD1 LEU 56 1HD1 LEU 56 -17.475 -7.972 -1.503 507 2HD1 LEU 56 2HD1 LEU 56 -18.128 -6.917 -0.235 508 3HD1 LEU 56 3HD1 LEU 56 -18.248 -6.438 -1.935 509 1HD2 LEU 56 1HD2 LEU 56 -15.520 -4.318 -0.421 510 2HD2 LEU 56 2HD2 LEU 56 -17.221 -4.294 -0.927 511 3HD2 LEU 56 3HD2 LEU 56 -16.768 -5.029 0.629 512 H ILE 57 H ILE 57 -13.413 -9.338 0.904 513 HA ILE 57 HA ILE 57 -14.570 -11.723 -0.146 514 HB ILE 57 HB ILE 57 -12.084 -11.270 1.501 515 1HG1 ILE 57 1HG1 ILE 57 -11.216 -12.668 -0.542 516 2HG1 ILE 57 2HG1 ILE 57 -12.763 -12.306 -1.287 517 1HG2 ILE 57 1HG2 ILE 57 -12.775 -13.302 2.537 518 2HG2 ILE 57 2HG2 ILE 57 -13.345 -13.999 1.007 519 3HG2 ILE 57 3HG2 ILE 57 -11.637 -13.800 1.296 520 1HD1 ILE 57 1HD1 ILE 57 -12.269 -9.946 -1.265 521 2HD1 ILE 57 2HD1 ILE 57 -10.834 -10.212 -0.219 522 3HD1 ILE 57 3HD1 ILE 57 -10.844 -10.782 -1.886 523 H GLN 58 H GLN 58 -14.566 -10.630 3.260 524 HA GLN 58 HA GLN 58 -15.689 -13.049 4.317 525 1HB GLN 58 1HB GLN 58 -15.601 -10.177 5.239 526 2HB GLN 58 2HB GLN 58 -16.626 -11.321 6.092 527 1HG GLN 58 1HG GLN 58 -13.654 -11.805 5.592 528 2HG GLN 58 2HG GLN 58 -14.299 -11.024 7.039 529 1HE2 GLN 58 1HE2 GLN 58 -13.129 -14.017 6.112 530 2HE2 GLN 58 2HE2 GLN 58 -14.203 -14.930 7.187 531 H GLU 59 H GLU 59 -17.222 -10.767 2.169 532 HA GLU 59 HA GLU 59 -19.941 -11.596 2.914 533 1HB GLU 59 1HB GLU 59 -19.038 -10.225 0.373 534 2HB GLU 59 2HB GLU 59 -20.646 -10.245 1.058 535 1HG GLU 59 1HG GLU 59 -18.248 -8.795 2.288 536 2HG GLU 59 2HG GLU 59 -19.439 -8.079 1.221 537 H GLU 60 H GLU 60 -17.382 -12.904 0.903 538 HA GLU 60 HA GLU 60 -18.993 -15.100 -0.038 539 1HB GLU 60 1HB GLU 60 -18.958 -12.721 -1.783 540 2HB GLU 60 2HB GLU 60 -18.203 -14.095 -2.573 541 1HG GLU 60 1HG GLU 60 -20.296 -15.446 -1.790 542 2HG GLU 60 2HG GLU 60 -21.046 -13.854 -1.601 543 H GLY 61 H GLY 61 -16.172 -13.214 -1.147 544 1HA GLY 61 1HA GLY 61 -13.899 -14.234 -1.057 545 2HA GLY 61 2HA GLY 61 -14.612 -15.765 -1.530 546 H LEU 62 H LEU 62 -16.342 -14.564 -3.636 547 HA LEU 62 HA LEU 62 -14.725 -14.565 -5.947 548 1HB LEU 62 1HB LEU 62 -17.073 -14.894 -6.101 549 2HB LEU 62 2HB LEU 62 -17.430 -13.394 -5.256 550 HG LEU 62 HG LEU 62 -16.786 -12.052 -7.169 551 1HD1 LEU 62 1HD1 LEU 62 -16.125 -14.705 -8.534 552 2HD1 LEU 62 2HD1 LEU 62 -16.393 -13.174 -9.401 553 3HD1 LEU 62 3HD1 LEU 62 -15.036 -13.319 -8.292 554 1HD2 LEU 62 1HD2 LEU 62 -18.614 -14.331 -8.027 555 2HD2 LEU 62 2HD2 LEU 62 -19.090 -13.001 -6.947 556 3HD2 LEU 62 3HD2 LEU 62 -18.625 -12.645 -8.617 557 H SER 63 H SER 63 -15.545 -11.914 -3.822 558 HA SER 63 HA SER 63 -14.488 -9.694 -5.211 559 1HB SER 63 1HB SER 63 -14.780 -10.317 -2.271 560 2HB SER 63 2HB SER 63 -14.041 -8.810 -2.851 561 HG SER 63 HG SER 63 -16.576 -9.706 -3.769 562 H VAL 64 H VAL 64 -12.572 -12.387 -4.088 563 HA VAL 64 HA VAL 64 -10.021 -11.022 -3.991 564 HB VAL 64 HB VAL 64 -10.809 -13.803 -4.963 565 1HG1 VAL 64 1HG1 VAL 64 -8.103 -12.438 -4.932 566 2HG1 VAL 64 2HG1 VAL 64 -8.279 -14.222 -4.853 567 3HG1 VAL 64 3HG1 VAL 64 -8.885 -13.320 -6.237 568 1HG2 VAL 64 1HG2 VAL 64 -9.502 -14.512 -2.942 569 2HG2 VAL 64 2HG2 VAL 64 -9.353 -12.796 -2.481 570 3HG2 VAL 64 3HG2 VAL 64 -10.942 -13.580 -2.563 571 H SER 65 H SER 65 -11.521 -12.661 -6.839 572 HA SER 65 HA SER 65 -9.720 -11.187 -8.618 573 1HB SER 65 1HB SER 65 -10.544 -13.509 -9.069 574 2HB SER 65 2HB SER 65 -12.163 -12.833 -9.370 575 HG SER 65 HG SER 65 -10.865 -13.053 -11.284 576 H GLU 66 H GLU 66 -13.194 -10.968 -7.691 577 HA GLU 66 HA GLU 66 -13.811 -8.946 -9.599 578 1HB GLU 66 1HB GLU 66 -15.216 -10.226 -7.357 579 2HB GLU 66 2HB GLU 66 -15.526 -8.505 -7.398 580 1HG GLU 66 1HG GLU 66 -15.823 -9.132 -10.079 581 2HG GLU 66 2HG GLU 66 -16.370 -10.619 -9.308 582 H ALA 67 H ALA 67 -13.048 -8.370 -6.027 583 HA ALA 67 HA ALA 67 -13.381 -5.559 -6.535 584 1HB ALA 67 1HB ALA 67 -12.823 -5.214 -4.268 585 2HB ALA 67 2HB ALA 67 -13.839 -6.659 -4.356 586 3HB ALA 67 3HB ALA 67 -12.080 -6.822 -4.123 587 H ILE 68 H ILE 68 -10.593 -7.714 -6.753 588 HA ILE 68 HA ILE 68 -8.600 -5.633 -7.112 589 HB ILE 68 HB ILE 68 -8.696 -8.515 -8.083 590 1HG1 ILE 68 1HG1 ILE 68 -7.032 -7.111 -5.947 591 2HG1 ILE 68 2HG1 ILE 68 -8.470 -8.039 -5.587 592 1HG2 ILE 68 1HG2 ILE 68 -7.298 -7.181 -9.652 593 2HG2 ILE 68 2HG2 ILE 68 -6.402 -6.496 -8.275 594 3HG2 ILE 68 3HG2 ILE 68 -6.292 -8.227 -8.670 595 1HD1 ILE 68 1HD1 ILE 68 -7.341 -10.092 -6.566 596 2HD1 ILE 68 2HD1 ILE 68 -5.852 -9.147 -6.681 597 3HD1 ILE 68 3HD1 ILE 68 -6.589 -9.438 -5.099 598 H ALA 69 H ALA 69 -10.583 -7.521 -9.537 599 HA ALA 69 HA ALA 69 -9.709 -6.032 -11.781 600 1HB ALA 69 1HB ALA 69 -11.701 -6.972 -12.887 601 2HB ALA 69 2HB ALA 69 -10.851 -8.199 -11.926 602 3HB ALA 69 3HB ALA 69 -12.353 -7.474 -11.310 603 H GLN 70 H GLN 70 -12.522 -5.441 -9.646 604 HA GLN 70 HA GLN 70 -13.551 -3.070 -10.810 605 1HB GLN 70 1HB GLN 70 -13.360 -3.943 -7.918 606 2HB GLN 70 2HB GLN 70 -14.255 -2.528 -8.445 607 1HG GLN 70 1HG GLN 70 -15.862 -3.830 -9.649 608 2HG GLN 70 2HG GLN 70 -14.910 -5.304 -9.515 609 1HE2 GLN 70 1HE2 GLN 70 -17.066 -6.334 -8.468 610 2HE2 GLN 70 2HE2 GLN 70 -17.212 -5.857 -6.782 611 H VAL 71 H VAL 71 -11.205 -3.182 -7.988 612 HA VAL 71 HA VAL 71 -10.763 -0.393 -8.245 613 HB VAL 71 HB VAL 71 -10.404 -1.934 -6.220 614 1HG1 VAL 71 1HG1 VAL 71 -8.629 -3.377 -7.239 615 2HG1 VAL 71 2HG1 VAL 71 -7.533 -1.979 -7.248 616 3HG1 VAL 71 3HG1 VAL 71 -8.149 -2.626 -5.713 617 1HG2 VAL 71 1HG2 VAL 71 -8.438 0.323 -6.746 618 2HG2 VAL 71 2HG2 VAL 71 -10.130 0.507 -6.229 619 3HG2 VAL 71 3HG2 VAL 71 -8.967 -0.294 -5.166 620 H LYS 72 H LYS 72 -9.185 -2.976 -10.007 621 HA LYS 72 HA LYS 72 -7.130 -1.143 -11.098 622 1HB LYS 72 1HB LYS 72 -7.910 -3.997 -11.837 623 2HB LYS 72 2HB LYS 72 -6.672 -3.050 -12.660 624 1HG LYS 72 1HG LYS 72 -5.835 -2.750 -10.064 625 2HG LYS 72 2HG LYS 72 -6.561 -4.354 -9.973 626 1HD LYS 72 1HD LYS 72 -4.420 -3.442 -11.941 627 2HD LYS 72 2HD LYS 72 -4.143 -4.427 -10.498 628 1HE LYS 72 1HE LYS 72 -5.469 -6.261 -11.411 629 2HE LYS 72 2HE LYS 72 -5.954 -5.275 -12.798 630 1HZ LYS 72 1HZ LYS 72 -3.625 -5.180 -13.463 631 2HZ LYS 72 2HZ LYS 72 -3.185 -6.139 -12.201 632 3HZ LYS 72 3HZ LYS 72 -4.144 -6.737 -13.395 633 H THR 73 H THR 73 -10.414 -1.993 -12.051 634 HA THR 73 HA THR 73 -9.966 -0.714 -14.698 635 HB THR 73 HB THR 73 -11.285 -2.886 -14.346 636 HG1 THR 73 HG1 THR 73 -11.172 -1.614 -16.254 637 1HG2 THR 73 1HG2 THR 73 -13.660 -1.034 -13.978 638 2HG2 THR 73 2HG2 THR 73 -13.598 -2.811 -13.924 639 3HG2 THR 73 3HG2 THR 73 -12.904 -1.862 -12.604 640 H GLU 74 H GLU 74 -11.384 0.048 -11.580 641 HA GLU 74 HA GLU 74 -12.518 2.595 -12.348 642 1HB GLU 74 1HB GLU 74 -11.461 1.441 -9.732 643 2HB GLU 74 2HB GLU 74 -12.144 3.065 -9.855 644 1HG GLU 74 1HG GLU 74 -14.282 2.168 -10.653 645 2HG GLU 74 2HG GLU 74 -13.657 0.521 -10.594 646 HA PRO 75 HA PRO 75 -8.683 4.880 -12.676 647 1HB PRO 75 1HB PRO 75 -9.493 7.458 -12.316 648 2HB PRO 75 2HB PRO 75 -10.016 6.486 -13.729 649 1HG PRO 75 1HG PRO 75 -11.520 6.912 -11.117 650 2HG PRO 75 2HG PRO 75 -12.127 7.165 -12.787 651 1HD PRO 75 1HD PRO 75 -12.577 4.843 -11.433 652 2HD PRO 75 2HD PRO 75 -12.244 4.839 -13.194 653 HA PRO 76 HA PRO 76 -7.220 5.586 -8.471 654 1HB PRO 76 1HB PRO 76 -4.944 7.033 -8.864 655 2HB PRO 76 2HB PRO 76 -5.093 5.330 -9.401 656 1HG PRO 76 1HG PRO 76 -5.541 7.842 -11.058 657 2HG PRO 76 2HG PRO 76 -4.490 6.440 -11.449 658 1HD PRO 76 1HD PRO 76 -7.029 6.643 -12.418 659 2HD PRO 76 2HD PRO 76 -6.354 5.059 -11.920 660 H ARG 77 H ARG 77 -6.741 7.301 -6.920 661 HA ARG 77 HA ARG 77 -7.686 10.035 -7.376 662 1HB ARG 77 1HB ARG 77 -9.609 9.731 -5.758 663 2HB ARG 77 2HB ARG 77 -9.839 9.138 -7.390 664 1HG ARG 77 1HG ARG 77 -10.120 6.991 -6.761 665 2HG ARG 77 2HG ARG 77 -8.791 7.011 -5.603 666 1HD ARG 77 1HD ARG 77 -11.479 8.297 -5.040 667 2HD ARG 77 2HD ARG 77 -11.049 6.626 -4.606 668 HE ARG 77 HE ARG 77 -8.994 8.365 -3.664 669 1HH1 ARG 77 1HH1 ARG 77 -12.351 7.750 -2.951 670 2HH1 ARG 77 2HH1 ARG 77 -12.181 7.971 -1.224 671 1HH2 ARG 77 1HH2 ARG 77 -8.768 8.598 -1.439 672 2HH2 ARG 77 2HH2 ARG 77 -10.114 8.318 -0.367 673 H GLU 78 H GLU 78 -5.789 10.662 -6.487 674 HA GLU 78 HA GLU 78 -4.621 10.180 -4.000 675 1HB GLU 78 1HB GLU 78 -4.576 12.249 -6.092 676 2HB GLU 78 2HB GLU 78 -4.504 12.984 -4.515 677 1HG GLU 78 1HG GLU 78 -2.328 12.616 -4.465 678 2HG GLU 78 2HG GLU 78 -2.621 10.896 -4.302
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